CID 2733141

2,2-dimethyl-1,3-dioxan-5-one

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(OCC(=O)CO1)C

InChI

InChI=1S/C6H10O3/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3

InChIKey

ASFQDNDZFGFMMP-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3-dioxan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 733
Patents: 130.06299 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]+	131.07027	121.7
[M+Na]+	153.05221	129.5
[M-H]-	129.05571	126.9
[M+NH4]+	148.09681	143.3
[M+K]+	169.02615	132.3
[M+H-H2O]+	113.06025	117.7
[M+HCOO]-	175.06119	142.0
[M+CH3COO]-	189.07684	169.3
[M+Na-2H]-	151.03766	131.4
[M]+	130.06244	122.0
[M]-	130.06354	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe