CID 796323

159222-24-9

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C10H10N2O2S/c1-12-8-5-3-2-4-7(8)11-10(12)15-6-9(13)14/h2-5H,6H2,1H3,(H,13,14)

InChIKey

MCMIGLPXWPOCTD-UHFFFAOYSA-N

Compound name

2-(1-methylbenzimidazol-2-yl)sulfanylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 10
Patents: 222.0463 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.05358	146.8
[M+Na]+	245.03552	159.3
[M+NH4]+	240.08012	154.6
[M+K]+	261.00946	153.4
[M-H]-	221.03902	147.2
[M+Na-2H]-	243.02097	151.4
[M]+	222.04575	149.0
[M]-	222.04685	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe