CID 4586286

4370-98-3

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

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

InChI

InChI=1S/C15H20O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,16,17)

InChIKey

SYUJOANCOQHMKN-UHFFFAOYSA-N

Compound name

2-cyclohexyl-2-phenylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 232.14633 Da
Monoisotopic Mass: 4.5
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]+	233.153606	154.4
[M+Na]+	255.135548	157.4
[M-H]-	231.139054	158.4
[M+NH4]+	250.180153	170.8
[M+K]+	271.109488	154.4
[M+H-H2O]+	215.143590	147.8
[M+HCOO]-	277.144531	170.7
[M+CH3COO]-	291.160181	187.9
[M+Na-2H]-	253.120996	158.0
[M]+	232.14578142	148.7
[M]-	232.14687858	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe