CID 522891

88038-94-2

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H16O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11H,2-3H2,1H3,(H,17,18)

InChIKey

HCPBURTZSXRGBN-UHFFFAOYSA-N

Compound name

4-(4-propylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 226
Patents: 240.11504 Da
Monoisotopic Mass: 5.0
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]+	241.12232	155.5
[M+Na]+	263.10426	170.1
[M+NH4]+	258.14886	164.1
[M+K]+	279.07820	162.3
[M-H]-	239.10776	159.8
[M+Na-2H]-	261.08971	164.4
[M]+	240.11449	158.9
[M]-	240.11559	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe