CID 25917132

887350-88-1

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

QXHSPEOTFUIAFD-UHFFFAOYSA-N

Compound name

1-cyclopropylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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]+	203.08151	145.6
[M+Na]+	225.06345	157.7
[M-H]-	201.06695	150.8
[M+NH4]+	220.10805	159.6
[M+K]+	241.03739	152.4
[M+H-H2O]+	185.07149	138.5
[M+HCOO]-	247.07243	167.4
[M+CH3COO]-	261.08808	158.6
[M+Na-2H]-	223.04890	151.0
[M]+	202.07368	149.5
[M]-	202.07478	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe