CID 207940

Cyclohexyl(ethoxy)phenylacetic acid

Structural Information

Molecular Formula

C₁₆H₂₂O₃

SMILES

CCOC(C1CCCCC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H22O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3,(H,17,18)

InChIKey

YJTJKMRVFAJBTN-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-ethoxy-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1569 Da
Monoisotopic Mass: 3.9
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]+	263.164176	162.1
[M+Na]+	285.146118	164.5
[M-H]-	261.149624	165.9
[M+NH4]+	280.190723	177.2
[M+K]+	301.120058	162.0
[M+H-H2O]+	245.154160	155.0
[M+HCOO]-	307.155101	178.2
[M+CH3COO]-	321.170751	193.0
[M+Na-2H]-	283.131566	165.3
[M]+	262.15635142	158.2
[M]-	262.15744858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe