CID 5318169

2-hydroxycinnamaldehyde

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

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

InChI

InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+

InChIKey

BSDNZCQPDVTDET-HWKANZROSA-N

Compound name

(E)-3-(2-hydroxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 756
Patents: 148.05243 Da
Monoisotopic Mass: 1.5
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]+	149.05971	129.4
[M+Na]+	171.04165	142.5
[M+NH4]+	166.08625	137.7
[M+K]+	187.01559	135.7
[M-H]-	147.04515	130.9
[M+Na-2H]-	169.02710	136.3
[M]+	148.05188	131.6
[M]-	148.05298	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe