CID 228548

4,4-dimethoxy-2-butanone

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC(=O)CC(OC)OC

InChI

InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3

InChIKey

PJCCSZUMZMCWSX-UHFFFAOYSA-N

Compound name

4,4-dimethoxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 1251
Patents: 132.07864 Da
Monoisotopic Mass: -0.3
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]+	133.08592	126.8
[M+Na]+	155.06786	136.3
[M+NH4]+	150.11246	134.0
[M+K]+	171.04180	132.5
[M-H]-	131.07136	125.2
[M+Na-2H]-	153.05331	129.7
[M]+	132.07809	127.4
[M]-	132.07919	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe