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: 716
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	123.7
[M+Na]+	153.05221	135.4
[M+NH4]+	148.09681	133.5
[M+K]+	169.02615	129.3
[M-H]-	129.05571	127.6
[M+Na-2H]-	151.03766	129.6
[M]+	130.06244	126.5
[M]-	130.06354	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe