CID 1522244

1-methyl-1h-benzimidazole-2-thiol

Structural Information

Molecular Formula
C8H8N2S
SMILES
CN1C2=CC=CC=C2NC1=S
InChI
InChI=1S/C8H8N2S/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)
InChIKey
CDNHLXOFELOEOL-UHFFFAOYSA-N
Compound name
3-methyl-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1007
Patents

164.04082 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.5
[M+Na]+ 187.03004 142.4
[M-H]- 163.03354 131.6
[M+NH4]+ 182.07464 151.3
[M+K]+ 203.00398 137.5
[M+H-H2O]+ 147.03808 124.1
[M+HCOO]- 209.03902 147.6
[M+CH3COO]- 223.05467 144.1
[M+Na-2H]- 185.01549 134.5
[M]+ 164.04027 131.9
[M]- 164.04137 131.9
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