CID 119219

3,4-dihydroxyphenylacetaldehyde

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1=CC(=C(C=C1CC=O)O)O

InChI

InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2

InChIKey

IADQVXRMSNIUEL-UHFFFAOYSA-N

Compound name

2-(3,4-dihydroxyphenyl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 129
References: 631
Patents: 152.04735 Da
Monoisotopic Mass: 0.4
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]+	153.05463	128.7
[M+Na]+	175.03657	141.2
[M+NH4]+	170.08117	136.4
[M+K]+	191.01051	135.8
[M-H]-	151.04007	129.4
[M+Na-2H]-	173.02202	134.6
[M]+	152.04680	130.5
[M]-	152.04790	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe