CID 32274

24282-51-7

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CC(=O)C1(CC(OC1(C)C)(C)C)O

InChI

InChI=1S/C10H18O3/c1-7(11)10(12)6-8(2,3)13-9(10,4)5/h12H,6H2,1-5H3

InChIKey

WZUUKKCWNCMNGA-UHFFFAOYSA-N

Compound name

1-(3-hydroxy-2,2,5,5-tetramethyloxolan-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 0.4
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]+	187.132876	134.0
[M+Na]+	209.114818	143.1
[M-H]-	185.118324	137.8
[M+NH4]+	204.159423	160.0
[M+K]+	225.088758	143.6
[M+H-H2O]+	169.122860	132.9
[M+HCOO]-	231.123801	153.5
[M+CH3COO]-	245.139451	180.3
[M+Na-2H]-	207.100266	140.2
[M]+	186.12505142	136.0
[M]-	186.12614858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.