CID 61196

Trimethylolpropane diallyl ether

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCC(CO)(COCC=C)COCC=C

InChI

InChI=1S/C12H22O3/c1-4-7-14-10-12(6-3,9-13)11-15-8-5-2/h4-5,13H,1-2,6-11H2,3H3

InChIKey

BDKDHWOPFRTWPP-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-enoxymethyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 5546
Patents: 214.15689 Da
Monoisotopic Mass: 1.5
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]+	215.16417	152.5
[M+Na]+	237.14611	160.7
[M+NH4]+	232.19071	158.0
[M+K]+	253.12005	155.2
[M-H]-	213.14961	149.6
[M+Na-2H]-	235.13156	153.8
[M]+	214.15634	152.5
[M]-	214.15744	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe