CID 47083

Dimethallyl carbonate

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC(=C)COC(=O)OCC(=C)C

InChI

InChI=1S/C9H14O3/c1-7(2)5-11-9(10)12-6-8(3)4/h1,3,5-6H2,2,4H3

InChIKey

SKCUYCAPQSWGBP-UHFFFAOYSA-N

Compound name

bis(2-methylprop-2-enyl) carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 299
Patents: 170.0943 Da
Monoisotopic Mass: 3.1
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]+	171.10158	138.9
[M+Na]+	193.08352	147.6
[M+NH4]+	188.12812	144.9
[M+K]+	209.05746	143.7
[M-H]-	169.08702	136.5
[M+Na-2H]-	191.06897	140.4
[M]+	170.09375	139.0
[M]-	170.09485	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe