CID 13385

Vinylene carbonate

Structural Information

Molecular Formula

C₃H₂O₃

SMILES

C1=COC(=O)O1

InChI

InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H

InChIKey

VAYTZRYEBVHVLE-UHFFFAOYSA-N

Compound name

1,3-dioxol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 121472
Patents: 86.0004 Da
Monoisotopic Mass: 0.3
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]+	87.007676	105.9
[M+Na]+	108.98962	116.1
[M-H]-	84.993124	111.5
[M+NH4]+	104.03422	128.8
[M+K]+	124.96356	118.7
[M+H-H2O]+	68.997660	101.9
[M+HCOO]-	130.99860	132.1
[M+CH3COO]-	145.01425	158.6
[M+Na-2H]-	106.97507	117.1
[M]+	85.999851	109.2
[M]-	86.000949	109.2

Literature stripe

literature stripe

Patent stripe

patents stripe