CID 2760654

1-(3-methylphenyl)-1h-imidazole-2-thiol

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=CC(=CC=C1)N2C=CNC2=S
InChI
InChI=1S/C10H10N2S/c1-8-3-2-4-9(7-8)12-6-5-11-10(12)13/h2-7H,1H3,(H,11,13)
InChIKey
GJDRJIVMFXHPFP-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

190.05647 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.3
[M+Na]+ 213.045688 149.3
[M-H]- 189.049194 142.2
[M+NH4]+ 208.090293 157.6
[M+K]+ 229.019628 144.0
[M+H-H2O]+ 173.053730 131.7
[M+HCOO]- 235.054671 156.0
[M+CH3COO]- 249.070321 151.8
[M+Na-2H]- 211.031136 140.5
[M]+ 190.05592142 138.5
[M]- 190.05701858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.