CID 15051082

4-(6-hydroxyhexyloxy)benzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

C1=CC(=CC=C1C=O)OCCCCCCO

InChI

InChI=1S/C13H18O3/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8,11,14H,1-4,9-10H2

InChIKey

YCKLLCWNZUJZHZ-UHFFFAOYSA-N

Compound name

4-(6-hydroxyhexoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 222.1256 Da
Monoisotopic Mass: 2.1
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]+	223.13288	151.2
[M+Na]+	245.11482	162.8
[M+NH4]+	240.15942	158.4
[M+K]+	261.08876	155.7
[M-H]-	221.11832	152.2
[M+Na-2H]-	243.10027	156.6
[M]+	222.12505	153.0
[M]-	222.12615	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe