CID 12899719

2-hydroxy-3-propoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

CCCOC1=CC=CC(=C1O)C=O

InChI

InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-11)10(9)12/h3-5,7,12H,2,6H2,1H3

InChIKey

DFIYBCQWNYMGBR-UHFFFAOYSA-N

Compound name

2-hydroxy-3-propoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 180.07864 Da
Monoisotopic Mass: 2.3
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]+	181.08592	137.2
[M+Na]+	203.06786	149.8
[M+NH4]+	198.11246	144.9
[M+K]+	219.04180	143.7
[M-H]-	179.07136	138.4
[M+Na-2H]-	201.05331	143.2
[M]+	180.07809	139.2
[M]-	180.07919	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe