CID 7063916

875163-37-4

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CS(=O)(=O)CC1=NC2=CC=CC=C2N1CC(=O)O
InChI
InChI=1S/C11H12N2O4S/c1-18(16,17)7-10-12-8-4-2-3-5-9(8)13(10)6-11(14)15/h2-5H,6-7H2,1H3,(H,14,15)
InChIKey
IRINSPQIWSZSOW-UHFFFAOYSA-N
Compound name
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0518 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 158.3
[M+Na]+ 291.04102 169.3
[M+NH4]+ 286.08562 164.0
[M+K]+ 307.01496 165.2
[M-H]- 267.04452 156.6
[M+Na-2H]- 289.02647 161.6
[M]+ 268.05125 159.6
[M]- 268.05235 159.6
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.