CID 28693656

1094428-46-2

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CC1=NC2=C(N1C3CC3)C=CC(=C2)C(=O)O
InChI
InChI=1S/C12H12N2O2/c1-7-13-10-6-8(12(15)16)2-5-11(10)14(7)9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H,15,16)
InChIKey
LQPGSZKLSRZBGH-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-methylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 149.9
[M+Na]+ 239.07909 162.5
[M-H]- 215.08259 155.3
[M+NH4]+ 234.12369 163.6
[M+K]+ 255.05303 156.9
[M+H-H2O]+ 199.08713 142.9
[M+HCOO]- 261.08807 171.3
[M+CH3COO]- 275.10372 162.8
[M+Na-2H]- 237.06454 154.1
[M]+ 216.08932 154.6
[M]- 216.09042 154.6
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.