CID 15102296

2-phenylcyclohex-1-ene-1-carboxylic acid

Structural Information

Molecular Formula

C₁₃H₁₄O₂

SMILES

C1CCC(=C(C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)

InChIKey

OSDFYCJQRZZRQZ-UHFFFAOYSA-N

Compound name

2-phenylcyclohexene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 202.09938 Da
Monoisotopic Mass: 2.9
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]+	203.10666	145.1
[M+Na]+	225.08860	158.1
[M+NH4]+	220.13320	154.0
[M+K]+	241.06254	151.2
[M-H]-	201.09210	149.0
[M+Na-2H]-	223.07405	153.2
[M]+	202.09883	148.0
[M]-	202.09993	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe