CID 140871

21983-72-2

Structural Information

Molecular Formula

C₆H₁₂O₃

SMILES

CC(=O)C(C)(OC)OC

InChI

InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3

InChIKey

UFQBSPGKRRSATO-UHFFFAOYSA-N

Compound name

3,3-dimethoxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 132.07864 Da
Monoisotopic Mass: 0.0
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	125.6
[M+Na]+	155.06786	133.4
[M-H]-	131.07136	126.4
[M+NH4]+	150.11246	147.8
[M+K]+	171.04180	134.9
[M+H-H2O]+	115.07590	121.8
[M+HCOO]-	177.07684	147.9
[M+CH3COO]-	191.09249	173.4
[M+Na-2H]-	153.05331	132.4
[M]+	132.07809	129.5
[M]-	132.07919	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe