CID 12127

3-hydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

COC1=C(C=C(C=C1)C=O)O

InChI

InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3

InChIKey

JVTZFYYHCGSXJV-UHFFFAOYSA-N

Compound name

3-hydroxy-4-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 81
References: 6919
Patents: 152.04735 Da
Monoisotopic Mass: 1.0
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]+	153.05463	128.1
[M+Na]+	175.03657	141.2
[M+NH4]+	170.08117	136.2
[M+K]+	191.01051	135.5
[M-H]-	151.04007	129.4
[M+Na-2H]-	173.02202	134.7
[M]+	152.04680	130.2
[M]-	152.04790	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe