CID 37737

5-hexyl-2,4-dihydroxybenzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

CCCCCCC1=CC(=C(C=C1O)O)C=O

InChI

InChI=1S/C13H18O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15/h7-9,15-16H,2-6H2,1H3

InChIKey

UBCGVJPYIHKJRH-UHFFFAOYSA-N

Compound name

5-hexyl-2,4-dihydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 222.1256 Da
Monoisotopic Mass: 4.2
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]+	223.13288	150.9
[M+Na]+	245.11482	162.7
[M+NH4]+	240.15942	157.8
[M+K]+	261.08876	156.4
[M-H]-	221.11832	151.5
[M+Na-2H]-	243.10027	155.3
[M]+	222.12505	152.6
[M]-	222.12615	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe