CID 85431228

Ft183466

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC1C(=O)C(OC(O1)(C)C)C

InChI

InChI=1S/C8H14O3/c1-5-7(9)6(2)11-8(3,4)10-5/h5-6H,1-4H3

InChIKey

KWMQMVKGFLHVGD-UHFFFAOYSA-N

Compound name

2,2,4,6-tetramethyl-1,3-dioxan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0943 Da
Monoisotopic Mass: 1.1
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]+	159.10158	131.2
[M+Na]+	181.08352	143.3
[M+NH4]+	176.12812	140.7
[M+K]+	197.05746	137.2
[M-H]-	157.08702	135.2
[M+Na-2H]-	179.06897	136.3
[M]+	158.09375	134.2
[M]-	158.09485	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.