CID 4384857

Diallyl dicarbonate

Structural Information

Molecular Formula

C₈H₁₀O₅

SMILES

C=CCOC(=O)OC(=O)OCC=C

InChI

InChI=1S/C8H10O5/c1-3-5-11-7(9)13-8(10)12-6-4-2/h3-4H,1-2,5-6H2

InChIKey

XVSSGIXTKVRGAR-UHFFFAOYSA-N

Compound name

prop-2-enoxycarbonyl prop-2-enyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1828
Patents: 186.05283 Da
Monoisotopic Mass: 2.0
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]+	187.06011	139.7
[M+Na]+	209.04205	148.0
[M+NH4]+	204.08665	144.5
[M+K]+	225.01599	144.5
[M-H]-	185.04555	136.2
[M+Na-2H]-	207.02750	140.7
[M]+	186.05228	139.3
[M]-	186.05338	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe