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

84
Patents

128.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.8
[M+Na]+ 151.03004 133.4
[M-H]- 127.03354 123.3
[M+NH4]+ 146.07464 144.5
[M+K]+ 167.00398 130.3
[M+H-H2O]+ 111.03808 117.1
[M+HCOO]- 173.03902 140.3
[M+CH3COO]- 187.05467 166.3
[M+Na-2H]- 149.01549 125.6
[M]+ 128.04027 123.1
[M]- 128.04137 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