CID 141005544

2567497-66-7

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(=O)C1C(OCCO1)(C)C

InChI

InChI=1S/C8H14O3/c1-6(9)7-8(2,3)11-5-4-10-7/h7H,4-5H2,1-3H3

InChIKey

JXYRWJPEGHFXQV-UHFFFAOYSA-N

Compound name

1-(3,3-dimethyl-1,4-dioxan-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0943 Da
Monoisotopic Mass: 0.1
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	132.8
[M+Na]+	181.08352	143.8
[M+NH4]+	176.12812	142.2
[M+K]+	197.05746	138.0
[M-H]-	157.08702	136.5
[M+Na-2H]-	179.06897	137.8
[M]+	158.09375	135.5
[M]-	158.09485	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.