CID 5373913

3-acetoxycinnamic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CC(=O)OC1=CC=CC(=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H10O4/c1-8(12)15-10-4-2-3-9(7-10)5-6-11(13)14/h2-7H,1H3,(H,13,14)/b6-5+

InChIKey

LSZKRNUEKNCZIE-AATRIKPKSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 206.0579 Da
Monoisotopic Mass: 1.7
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]+	207.06518	143.9
[M+Na]+	229.04712	154.9
[M+NH4]+	224.09172	150.1
[M+K]+	245.02106	150.3
[M-H]-	205.05062	143.5
[M+Na-2H]-	227.03257	148.4
[M]+	206.05735	145.0
[M]-	206.05845	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe