CID 417709

35600-34-1

Structural Information

Molecular Formula
C2H7N3S
SMILES
CSC(=NN)N
InChI
InChI=1S/C2H7N3S/c1-6-2(3)5-4/h4H2,1H3,(H2,3,5)
InChIKey
WQUPOMUBXOPGSN-UHFFFAOYSA-N
Compound name
methyl N'-aminocarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

367
Patents

105.03607 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.043346 117.9
[M+Na]+ 128.025288 124.8
[M-H]- 104.028794 119.1
[M+NH4]+ 123.069893 140.6
[M+K]+ 143.999228 124.0
[M+H-H2O]+ 88.033330 112.2
[M+HCOO]- 150.034271 139.5
[M+CH3COO]- 164.049921 173.3
[M+Na-2H]- 126.010736 121.4
[M]+ 105.03552142 115.5
[M]- 105.03661858 115.5
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