CID 47083

Bis(2-methylallyl) 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

3
Annotation Hits: 0
References: 436
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]+	171.101576	137.5
[M+Na]+	193.083518	143.9
[M-H]-	169.087024	137.7
[M+NH4]+	188.128123	158.0
[M+K]+	209.057458	143.9
[M+H-H2O]+	153.091560	132.8
[M+HCOO]-	215.092501	158.8
[M+CH3COO]-	229.108151	180.6
[M+Na-2H]-	191.068966	139.5
[M]+	170.09375142	140.2
[M]-	170.09484858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe