CID 13932051

1-methoxy-3-methylene-2-pentanone

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC(=C)C(=O)COC

InChI

InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3

InChIKey

PEPJPZZZBHWOCM-UHFFFAOYSA-N

Compound name

1-methoxy-3-methylidenepentan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.08372 Da
Monoisotopic Mass: 1.2
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]+	129.09100	127.7
[M+Na]+	151.07294	137.5
[M+NH4]+	146.11754	135.0
[M+K]+	167.04688	132.8
[M-H]-	127.07644	126.4
[M+Na-2H]-	149.05839	130.7
[M]+	128.08317	128.4
[M]-	128.08427	128.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.