CID 118530

Hexanal dihexyl acetal

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCCCCCOC(CCCCC)OCCCCCC

InChI

InChI=1S/C18H38O2/c1-4-7-10-13-16-19-18(15-12-9-6-3)20-17-14-11-8-5-2/h18H,4-17H2,1-3H3

InChIKey

JAMIQGJXDPTFJL-UHFFFAOYSA-N

Compound name

1,1-dihexoxyhexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 147
Patents: 286.28717 Da
Monoisotopic Mass: 7.1
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]+	287.29445	177.3
[M+Na]+	309.27639	185.2
[M+NH4]+	304.32099	183.5
[M+K]+	325.25033	177.2
[M-H]-	285.27989	176.3
[M+Na-2H]-	307.26184	178.1
[M]+	286.28662	177.9
[M]-	286.28772	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe