CID 57878677

2-cyclobutylbenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC(C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H12O2/c12-11(13)10-7-2-1-6-9(10)8-4-3-5-8/h1-2,6-8H,3-5H2,(H,12,13)

InChIKey

KJBFRTUCPOBDQV-UHFFFAOYSA-N

Compound name

2-cyclobutylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 176.08372 Da
Monoisotopic Mass: 3.5
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]+	177.09100	136.4
[M+Na]+	199.07294	144.1
[M+NH4]+	194.11754	141.1
[M+K]+	215.04688	140.3
[M-H]-	175.07644	136.6
[M+Na-2H]-	197.05839	141.1
[M]+	176.08317	136.3
[M]-	176.08427	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe