CID 85081

15760-26-6

Structural Information

Molecular Formula
C3H5N3S
SMILES
CSC(=NC#N)N
InChI
InChI=1S/C3H5N3S/c1-7-3(5)6-2-4/h1H3,(H2,5,6)
InChIKey
XTLAGIJVEHOCLK-UHFFFAOYSA-N
Compound name
methyl N'-cyanocarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

115.02042 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 125.0
[M+Na]+ 138.009638 134.0
[M-H]- 114.013144 127.5
[M+NH4]+ 133.054243 145.8
[M+K]+ 153.983578 134.3
[M+H-H2O]+ 98.017680 113.2
[M+HCOO]- 160.018621 142.5
[M+CH3COO]- 174.034271 186.5
[M+Na-2H]- 135.995086 128.6
[M]+ 115.01987142 120.0
[M]- 115.02096858 120.0
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