CID 34214

Brn 1242296

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

CC(=O)C1CC(OC1=O)COCC#C

InChI

InChI=1S/C10H12O4/c1-3-4-13-6-8-5-9(7(2)11)10(12)14-8/h1,8-9H,4-6H2,2H3

InChIKey

PHHLHJFEMHHPKL-UHFFFAOYSA-N

Compound name

3-acetyl-5-(prop-2-ynoxymethyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.07356 Da
Monoisotopic Mass: 0.2
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]+	197.08084	139.9
[M+Na]+	219.06278	149.0
[M+NH4]+	214.10738	142.9
[M+K]+	235.03672	143.7
[M-H]-	195.06628	132.4
[M+Na-2H]-	217.04823	139.1
[M]+	196.07301	137.9
[M]-	196.07411	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.