CID 4456130

2-methyl-3-(3-methylphenyl)prop-2-enoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

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

InChI

InChI=1S/C11H12O2/c1-8-4-3-5-10(6-8)7-9(2)11(12)13/h3-7H,1-2H3,(H,12,13)

InChIKey

CZHSVFRPPVNUGL-UHFFFAOYSA-N

Compound name

2-methyl-3-(3-methylphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 176.08372 Da
Monoisotopic Mass: 1.2
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]+	177.09100	138.6
[M+Na]+	199.07294	150.5
[M+NH4]+	194.11754	146.3
[M+K]+	215.04688	145.0
[M-H]-	175.07644	139.6
[M+Na-2H]-	197.05839	144.2
[M]+	176.08317	140.4
[M]-	176.08427	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe