CID 23423017

869941-94-6

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1=CC=C(C=C1)C2CC2C(=O)O

InChI

InChI=1S/C11H12O2/c1-7-2-4-8(5-3-7)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)

InChIKey

GAGYDDATWSBNEG-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 176.08372 Da
Monoisotopic Mass: 2.0
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	138.6
[M+Na]+	199.07294	152.7
[M+NH4]+	194.11754	147.7
[M+K]+	215.04688	148.2
[M-H]-	175.07644	148.3
[M+Na-2H]-	197.05839	148.0
[M]+	176.08317	144.4
[M]-	176.08427	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe