CID 21442538

14945-92-7

Structural Information

Molecular Formula
C3H8N4S
SMILES
CSC(=N)N=C(N)N
InChI
InChI=1S/C3H8N4S/c1-8-3(6)7-2(4)5/h1H3,(H5,4,5,6,7)
InChIKey
LVMZCNBYTSGGIQ-UHFFFAOYSA-N
Compound name
methyl N-(diaminomethylidene)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

132.04697 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.05425 125.8
[M+Na]+ 155.03619 131.4
[M-H]- 131.03969 126.8
[M+NH4]+ 150.08079 146.8
[M+K]+ 171.01013 130.2
[M+H-H2O]+ 115.04423 119.3
[M+HCOO]- 177.04517 147.1
[M+CH3COO]- 191.06082 180.9
[M+Na-2H]- 153.02164 128.0
[M]+ 132.04642 121.4
[M]- 132.04752 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe