CID 80650

6342-56-9

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(=O)C(OC)OC

InChI

InChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3

InChIKey

ULVSHNOGEVXRDR-UHFFFAOYSA-N

Compound name

1,1-dimethoxypropan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1592
Patents: 118.062996 Da
Monoisotopic Mass: -0.2
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]+	119.07027	121.7
[M+Na]+	141.05221	129.2
[M-H]-	117.05572	122.4
[M+NH4]+	136.09682	144.3
[M+K]+	157.02615	131.1
[M+H-H2O]+	101.06026	117.5
[M+HCOO]-	163.06120	144.9
[M+CH3COO]-	177.07685	170.9
[M+Na-2H]-	139.03766	127.0
[M]+	118.06245	125.1
[M]-	118.06354	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe