CID 1533806

20240-58-8

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

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

InChI

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

InChIKey

IJGXTTPJTDSRBO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 191
Patents: 192.07864 Da
Monoisotopic Mass: 2.1
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]+	193.085916	138.4
[M+Na]+	215.067858	147.8
[M-H]-	191.071364	141.4
[M+NH4]+	210.112463	157.9
[M+K]+	231.041798	145.0
[M+H-H2O]+	175.075900	133.1
[M+HCOO]-	237.076841	161.9
[M+CH3COO]-	251.092491	182.6
[M+Na-2H]-	213.053306	143.1
[M]+	192.07809142	141.3
[M]-	192.07918858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe