CID 2758564

4,5-dimethyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC1=C(NC(=S)N1)C
InChI
InChI=1S/C5H8N2S/c1-3-4(2)7-5(8)6-3/h1-2H3,(H2,6,7,8)
InChIKey
RJZVFQDMZHOHKT-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

128.04082 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 123.2
[M+Na]+ 151.030038 134.2
[M-H]- 127.033544 122.7
[M+NH4]+ 146.074643 144.5
[M+K]+ 167.003978 130.1
[M+H-H2O]+ 111.038080 118.1
[M+HCOO]- 173.039021 139.2
[M+CH3COO]- 187.054671 164.8
[M+Na-2H]- 149.015486 124.9
[M]+ 128.04027142 122.1
[M]- 128.04136858 122.1
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