CID 113410

63679-61-8

Structural Information

Molecular Formula
C3H6N2OS
SMILES
CC(=O)SC(=N)N
InChI
InChI=1S/C3H6N2OS/c1-2(6)7-3(4)5/h1H3,(H3,4,5)
InChIKey
IDCAZEIPDKQJEN-UHFFFAOYSA-N
Compound name
S-carbamimidoyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

118.02008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.02736 123.4
[M+Na]+ 141.00930 130.8
[M+NH4]+ 136.05390 130.9
[M+K]+ 156.98324 125.6
[M-H]- 117.01280 123.0
[M+Na-2H]- 138.99475 125.7
[M]+ 118.01953 124.3
[M]- 118.02063 124.3
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