CID 5273584

117829-35-3

Structural Information

Molecular Formula
C3H5N3S
SMILES
C1=CN(C(=S)N1)N
InChI
InChI=1S/C3H5N3S/c4-6-2-1-5-3(6)7/h1-2H,4H2,(H,5,7)
InChIKey
FMXYWAWAIGUHRZ-UHFFFAOYSA-N
Compound name
3-amino-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

115.02042 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 118.2
[M+Na]+ 138.00964 128.7
[M-H]- 114.01314 118.4
[M+NH4]+ 133.05424 139.7
[M+K]+ 153.98358 125.4
[M+H-H2O]+ 98.017680 112.3
[M+HCOO]- 160.01862 136.6
[M+CH3COO]- 174.03427 164.4
[M+Na-2H]- 135.99509 121.5
[M]+ 115.01987 116.0
[M]- 115.02097 116.0
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