CID 13664561

2-(prop-2-en-1-yl)oxolan-3-one

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C=CCC1C(=O)CCO1

InChI

InChI=1S/C7H10O2/c1-2-3-7-6(8)4-5-9-7/h2,7H,1,3-5H2

InChIKey

DPMBZFWUEMTXKU-UHFFFAOYSA-N

Compound name

2-prop-2-enyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 126.06808 Da
Monoisotopic Mass: 0.8
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]+	127.07536	125.5
[M+Na]+	149.05730	135.9
[M+NH4]+	144.10190	133.8
[M+K]+	165.03124	132.3
[M-H]-	125.06080	127.5
[M+Na-2H]-	147.04275	129.2
[M]+	126.06753	127.3
[M]-	126.06863	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe