CID 34415

6-methoxy-2-hexanone

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(=O)CCCCOC

InChI

InChI=1S/C7H14O2/c1-7(8)5-3-4-6-9-2/h3-6H2,1-2H3

InChIKey

BBFYIMIWUNYAAX-UHFFFAOYSA-N

Compound name

6-methoxyhexan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 200
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
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	128.1
[M+Na]+	153.08860	138.2
[M+NH4]+	148.13320	135.8
[M+K]+	169.06254	132.8
[M-H]-	129.09210	127.2
[M+Na-2H]-	151.07405	131.6
[M]+	130.09883	129.0
[M]-	130.09993	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe