CID 12503264

1-ethyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C5H8N2S
SMILES
CCN1C=CNC1=S
InChI
InChI=1S/C5H8N2S/c1-2-7-4-3-6-5(7)8/h3-4H,2H2,1H3,(H,6,8)
InChIKey
MDMNGFFWUZNOSO-UHFFFAOYSA-N
Compound name
3-ethyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

128.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 122.8
[M+Na]+ 151.030038 133.4
[M-H]- 127.033544 123.3
[M+NH4]+ 146.074643 144.5
[M+K]+ 167.003978 130.3
[M+H-H2O]+ 111.038080 117.1
[M+HCOO]- 173.039021 140.3
[M+CH3COO]- 187.054671 166.3
[M+Na-2H]- 149.015486 125.6
[M]+ 128.04027142 123.1
[M]- 128.04136858 123.1
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