CID 62735128

2126161-43-9

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CC(C)(CO)C1=NC2=C(N1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C12H14N2O3/c1-12(2,6-15)11-13-8-4-3-7(10(16)17)5-9(8)14-11/h3-5,15H,6H2,1-2H3,(H,13,14)(H,16,17)
InChIKey
DFMFDVVELHYTFS-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.8
[M+Na]+ 257.08967 161.9
[M-H]- 233.09317 151.6
[M+NH4]+ 252.13427 169.1
[M+K]+ 273.06361 157.7
[M+H-H2O]+ 217.09771 146.9
[M+HCOO]- 279.09865 169.4
[M+CH3COO]- 293.11430 184.2
[M+Na-2H]- 255.07512 157.9
[M]+ 234.09990 153.4
[M]- 234.10100 153.4
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.