CID 277921

4-cyclobutylbenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

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

InChI

InChI=1S/C11H12O2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2,(H,12,13)

InChIKey

PPXSFFCOYUIJKD-UHFFFAOYSA-N

Compound name

4-cyclobutylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.08372 Da
Monoisotopic Mass: 3.0
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