CID 1201386

2-mercaptoimidazole

Structural Information

Molecular Formula
C3H4N2S
SMILES
C1=CNC(=S)N1
InChI
InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
InChIKey
OXFSTTJBVAAALW-UHFFFAOYSA-N
Compound name
1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

40
References

11340
Patents

100.00952 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.01680 116.5
[M+Na]+ 122.99874 127.5
[M+NH4]+ 118.04334 125.0
[M+K]+ 138.97268 121.9
[M-H]- 99.002244 116.3
[M+Na-2H]- 120.98419 121.3
[M]+ 100.00897 118.2
[M]- 100.01007 118.2
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