CID 98664

84682-27-9

Structural Information

Molecular Formula

C₁₄H₁₈O₂

SMILES

CC1=CC=C(C=C1)C2(CCCCC2)C(=O)O

InChI

InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)

InChIKey

BEVYUARQHKRBMH-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 218.13068 Da
Monoisotopic Mass: 3.7
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]+	219.13796	151.3
[M+Na]+	241.11990	163.3
[M+NH4]+	236.16450	161.5
[M+K]+	257.09384	154.7
[M-H]-	217.12340	155.0
[M+Na-2H]-	239.10535	159.8
[M]+	218.13013	154.2
[M]-	218.13123	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe