CID 534788

Allyl methyl carbonate

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

COC(=O)OCC=C

InChI

InChI=1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3

InChIKey

YHLVIDQQTOMBGN-UHFFFAOYSA-N

Compound name

methyl prop-2-enyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2371
Patents: 116.04734 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]+	117.05462	121.9
[M+Na]+	139.03656	132.1
[M+NH4]+	134.08116	129.1
[M+K]+	155.01050	127.5
[M-H]-	115.04006	120.3
[M+Na-2H]-	137.02201	125.3
[M]+	116.04679	122.5
[M]-	116.04789	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe