CID 2735038

4427-96-7

Structural Information

Molecular Formula

C₅H₆O₃

SMILES

C=CC1COC(=O)O1

InChI

InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2

InChIKey

BJWMSGRKJIOCNR-UHFFFAOYSA-N

Compound name

4-ethenyl-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30115
Patents: 114.03169 Da
Monoisotopic Mass: 1.0
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]+	115.03897	117.4
[M+Na]+	137.02091	125.9
[M-H]-	113.02441	122.4
[M+NH4]+	132.06551	139.2
[M+K]+	152.99485	127.7
[M+H-H2O]+	97.028950	113.4
[M+HCOO]-	159.02989	140.2
[M+CH3COO]-	173.04554	165.6
[M+Na-2H]-	135.00636	125.0
[M]+	114.03114	118.2
[M]-	114.03224	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe