CID 80503670

1368588-55-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1CC1N2C=NC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C11H10N2O2/c14-11(15)7-1-4-9-10(5-7)13(6-12-9)8-2-3-8/h1,4-6,8H,2-3H2,(H,14,15)

InChIKey

LTKFWZHJCSPJAD-UHFFFAOYSA-N

Compound name

3-cyclopropylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.07423 Da
Monoisotopic Mass: 1.4
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]+	203.081506	145.6
[M+Na]+	225.063448	157.7
[M-H]-	201.066954	150.8
[M+NH4]+	220.108053	159.6
[M+K]+	241.037388	152.4
[M+H-H2O]+	185.071490	138.5
[M+HCOO]-	247.072431	167.4
[M+CH3COO]-	261.088081	158.6
[M+Na-2H]-	223.048896	151.0
[M]+	202.07368142	149.5
[M]-	202.07477858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe