CID 68965735

1022158-49-1

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CSC1=NC2=C(N1)C=C(C=C2)CO
InChI
InChI=1S/C9H10N2OS/c1-13-9-10-7-3-2-6(5-12)4-8(7)11-9/h2-4,12H,5H2,1H3,(H,10,11)
InChIKey
CSOSJRUOPQALPG-UHFFFAOYSA-N
Compound name
(2-methylsulfanyl-3H-benzimidazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.05139 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 138.0
[M+Na]+ 217.04061 149.5
[M-H]- 193.04411 138.5
[M+NH4]+ 212.08521 157.8
[M+K]+ 233.01455 144.5
[M+H-H2O]+ 177.04865 132.5
[M+HCOO]- 239.04959 154.4
[M+CH3COO]- 253.06524 151.2
[M+Na-2H]- 215.02606 142.3
[M]+ 194.05084 141.0
[M]- 194.05194 141.0
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

patents stripe