CID 96210

7355-51-3

Structural Information

Molecular Formula

C₁₃H₁₄O₃

SMILES

C1CC=CC(C1)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2,(H,14,15)

InChIKey

PDVBRFKIRWATOO-UHFFFAOYSA-N

Compound name

4-cyclohex-2-en-1-yloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 218.0943 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]+	219.101576	147.1
[M+Na]+	241.083518	152.4
[M-H]-	217.087024	151.9
[M+NH4]+	236.128123	164.3
[M+K]+	257.057458	149.9
[M+H-H2O]+	201.091560	140.1
[M+HCOO]-	263.092501	167.3
[M+CH3COO]-	277.108151	184.4
[M+Na-2H]-	239.068966	151.4
[M]+	218.09375142	144.4
[M]-	218.09484858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe