CID 21325556

2-hydroxy-4,6-dipropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₈O₄

SMILES

CCCOC1=CC(=C(C(=C1)OCCC)C=O)O

InChI

InChI=1S/C13H18O4/c1-3-5-16-10-7-12(15)11(9-14)13(8-10)17-6-4-2/h7-9,15H,3-6H2,1-2H3

InChIKey

AGEJIFIPSQCTCL-UHFFFAOYSA-N

Compound name

2-hydroxy-4,6-dipropoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 238.12051 Da
Monoisotopic Mass: 3.3
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]+	239.12779	153.4
[M+Na]+	261.10973	165.3
[M+NH4]+	256.15433	160.0
[M+K]+	277.08367	159.2
[M-H]-	237.11323	154.0
[M+Na-2H]-	259.09518	157.9
[M]+	238.11996	155.1
[M]-	238.12106	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe