CID 4255657

130221-78-2

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CC=COCC1COC(=O)O1

InChI

InChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h2-3,6H,4-5H2,1H3

InChIKey

YFXXJQJIGQHZSG-UHFFFAOYSA-N

Compound name

4-(prop-1-enoxymethyl)-1,3-dioxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 158.0579 Da
Monoisotopic Mass: 1.2
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]+	159.06518	129.9
[M+Na]+	181.04712	137.5
[M-H]-	157.05062	134.5
[M+NH4]+	176.09172	149.9
[M+K]+	197.02106	139.2
[M+H-H2O]+	141.05516	125.3
[M+HCOO]-	203.05610	152.3
[M+CH3COO]-	217.07175	173.1
[M+Na-2H]-	179.03257	136.4
[M]+	158.05735	132.8
[M]-	158.05845	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe