CID 2759857

4-methyl-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C4H6N2S
SMILES
CC1=CNC(=S)N1
InChI
InChI=1S/C4H6N2S/c1-3-2-5-4(7)6-3/h2H,1H3,(H2,5,6,7)
InChIKey
SBQPDLGIWJRKBS-UHFFFAOYSA-N
Compound name
4-methyl-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

794
Patents

114.02517 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 119.1
[M+Na]+ 137.01439 129.7
[M-H]- 113.01789 118.4
[M+NH4]+ 132.05899 140.6
[M+K]+ 152.98833 125.9
[M+H-H2O]+ 97.022430 113.9
[M+HCOO]- 159.02337 135.4
[M+CH3COO]- 173.03902 160.7
[M+Na-2H]- 134.99984 122.0
[M]+ 114.02462 117.2
[M]- 114.02572 117.2
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