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: 6714
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	153.0
[M+Na]+	237.14611	158.3
[M-H]-	213.14961	151.0
[M+NH4]+	232.19071	171.1
[M+K]+	253.12005	156.1
[M+H-H2O]+	197.15415	148.1
[M+HCOO]-	259.15509	172.9
[M+CH3COO]-	273.17074	187.1
[M+Na-2H]-	235.13156	157.2
[M]+	214.15634	157.2
[M]-	214.15744	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe