CID 118792

2,2-diallyloxypropane

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CC(C)(OCC=C)OCC=C

InChI

InChI=1S/C9H16O2/c1-5-7-10-9(3,4)11-8-6-2/h5-6H,1-2,7-8H2,3-4H3

InChIKey

FMEUTDDJZQKSOU-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-enoxy)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 156.11504 Da
Monoisotopic Mass: 1.9
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]+	157.122316	135.2
[M+Na]+	179.104258	142.4
[M-H]-	155.107764	135.4
[M+NH4]+	174.148863	156.6
[M+K]+	195.078198	141.5
[M+H-H2O]+	139.112300	131.1
[M+HCOO]-	201.113241	157.5
[M+CH3COO]-	215.128891	178.7
[M+Na-2H]-	177.089706	141.6
[M]+	156.11449142	138.8
[M]-	156.11558858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe