CID 84764

Diallyl carbonate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

C=CCOC(=O)OCC=C

InChI

InChI=1S/C7H10O3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2

InChIKey

JKJWYKGYGWOAHT-UHFFFAOYSA-N

Compound name

bis(prop-2-enyl) carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20
References: 44192
Patents: 142.06299 Da
Monoisotopic Mass: 1.8
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]+	143.070266	128.1
[M+Na]+	165.052208	135.7
[M-H]-	141.055714	128.4
[M+NH4]+	160.096813	149.7
[M+K]+	181.026148	135.3
[M+H-H2O]+	125.060250	123.5
[M+HCOO]-	187.061191	152.0
[M+CH3COO]-	201.076841	172.9
[M+Na-2H]-	163.037656	133.6
[M]+	142.06244142	131.3
[M]-	142.06353858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe