CID 2384255

938058-97-0

Structural Information

Molecular Formula
C11H11N2O4
SMILES
C1=CC=C2C(=C1)N(C=[N+]2CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H10N2O4/c14-10(15)5-12-7-13(6-11(16)17)9-4-2-1-3-8(9)12/h1-4,7H,5-6H2,(H-,14,15,16,17)/p+1
InChIKey
OZJQCPQLYNUHIB-UHFFFAOYSA-O
Compound name
2-[3-(carboxymethyl)benzimidazol-3-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

235.07188 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07916 147.1
[M+Na]+ 258.06110 160.2
[M+NH4]+ 253.10570 153.7
[M+K]+ 274.03504 159.0
[M-H]- 234.06460 147.1
[M+Na-2H]- 256.04655 151.6
[M]+ 235.07133 148.9
[M]- 235.07243 148.9
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.