CID 2754908

65448-72-8

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

CC1=CC(=C(C(=C1)C=O)O)CO

InChI

InChI=1S/C9H10O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-4,11-12H,5H2,1H3

InChIKey

ZDFBTCGNMLBHHT-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(hydroxymethyl)-5-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 166.06299 Da
Monoisotopic Mass: 1.1
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]+	167.070266	131.5
[M+Na]+	189.052208	141.1
[M-H]-	165.055714	133.4
[M+NH4]+	184.096813	151.5
[M+K]+	205.026148	138.4
[M+H-H2O]+	149.060250	126.8
[M+HCOO]-	211.061191	153.9
[M+CH3COO]-	225.076841	174.8
[M+Na-2H]-	187.037656	136.7
[M]+	166.06244142	132.5
[M]-	166.06353858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe