CID 102340

2845-83-2

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(=CC(=O)C)OC

InChI

InChI=1S/C6H10O2/c1-5(7)4-6(2)8-3/h4H,1-3H3

InChIKey

CDWAKLKSWYVUSL-UHFFFAOYSA-N

Compound name

4-methoxypent-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 114.06808 Da
Monoisotopic Mass: 0.5
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]+	115.075356	122.0
[M+Na]+	137.057298	129.5
[M-H]-	113.060804	122.6
[M+NH4]+	132.101903	144.8
[M+K]+	153.031238	130.0
[M+H-H2O]+	97.065340	117.9
[M+HCOO]-	159.066281	144.8
[M+CH3COO]-	173.081931	170.3
[M+Na-2H]-	135.042746	126.8
[M]+	114.06753142	123.5
[M]-	114.06862858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe