CID 731767

4-methylcinnamic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+

InChIKey

RURHILYUWQEGOS-VOTSOKGWSA-N

Compound name

(E)-3-(4-methylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2025
Patents: 162.06808 Da
Monoisotopic Mass: 2.5
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]+	163.07536	132.6
[M+Na]+	185.05730	140.5
[M-H]-	161.06080	135.2
[M+NH4]+	180.10190	152.9
[M+K]+	201.03124	137.8
[M+H-H2O]+	145.06534	127.4
[M+HCOO]-	207.06628	155.3
[M+CH3COO]-	221.08193	175.2
[M+Na-2H]-	183.04275	138.0
[M]+	162.06753	132.2
[M]-	162.06863	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe