CID 6069153

2-hydroxycinnamaldehyde acetate

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

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

InChI

InChI=1S/C11H10O3/c1-9(13)14-11-7-3-2-5-10(11)6-4-8-12/h2-8H,1H3/b6-4+

InChIKey

JOWKJFRQPYWIMS-GQCTYLIASA-N

Compound name

[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.06299 Da
Monoisotopic Mass: 1.8
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]+	191.07027	138.3
[M+Na]+	213.05221	146.6
[M-H]-	189.05571	142.2
[M+NH4]+	208.09681	158.1
[M+K]+	229.02615	144.5
[M+H-H2O]+	173.06025	132.6
[M+HCOO]-	235.06119	162.7
[M+CH3COO]-	249.07684	181.4
[M+Na-2H]-	211.03766	143.7
[M]+	190.06244	140.9
[M]-	190.06354	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe