This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C11H17N5S


Canonical SMILES:
CSCCNc1ncnc2c1ncn2C(C)C
InChI:
InChI=1S/C11H17N5S/c1-8(2)16-7-15-9-10(12-4-5-17-3)13-6-14-11(9)16/h6-8H,4-5H2,1-3H3,(H,12,13,14)
InChIKey:
NEHPRVYJYMNUAK-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2014-05-27This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

electron ionisation mass spectrometry (EI-MS) 
Authors: Simone Gräßle - Nicole Jung
Analysis DOI:
Analysis ID:
Content:   
MS (70 eV, EI, 60 °C) m/z (%): 251.1 (25), 190.1 (26), 177.1 (60), 148.1(64), 135.1 (24), 75.0 (21), 57.1 (100), 45.0 (81). – HRMS (C11H17N5S): ber. 251.1205; gef. 251.1207.
Datasets