CID 819020

2-methylcinnamic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

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

InChI

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

InChIKey

RSWBWHPZXKLUEX-VOTSOKGWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1533
Patents: 162.06808 Da
Monoisotopic Mass: 2.3
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	134.1
[M+Na]+	185.05730	146.6
[M+NH4]+	180.10190	142.0
[M+K]+	201.03124	140.4
[M-H]-	161.06080	135.3
[M+Na-2H]-	183.04275	140.3
[M]+	162.06753	136.0
[M]-	162.06863	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe