CID 22404515

6-methoxyhexanal

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

COCCCCCC=O

InChI

InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6-8/h6H,2-5,7H2,1H3

InChIKey

AFSOGVGHFCKBOW-UHFFFAOYSA-N

Compound name

6-methoxyhexanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 130.09938 Da
Monoisotopic Mass: 0.6
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]+	131.10666	127.7
[M+Na]+	153.08860	138.2
[M+NH4]+	148.13320	135.6
[M+K]+	169.06254	132.0
[M-H]-	129.09210	127.1
[M+Na-2H]-	151.07405	131.7
[M]+	130.09883	128.8
[M]-	130.09993	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe