CID 1713887

22934-51-6

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC1=CC(=CC(=C1O)C=O)CC=C

InChI

InChI=1S/C11H12O3/c1-3-4-8-5-9(7-12)11(13)10(6-8)14-2/h3,5-7,13H,1,4H2,2H3

InChIKey

FDHXEIOBIOVBEN-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methoxy-5-prop-2-enylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 192.07864 Da
Monoisotopic Mass: 2.4
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]+	193.08592	140.5
[M+Na]+	215.06786	153.4
[M+NH4]+	210.11246	147.9
[M+K]+	231.04180	147.2
[M-H]-	191.07136	141.5
[M+Na-2H]-	213.05331	146.0
[M]+	192.07809	142.5
[M]-	192.07919	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe