CID 103015

Trimethylolpropane triglycidyl ether

Structural Information

Molecular Formula

C₁₅H₂₆O₆

SMILES

CCC(COCC1CO1)(COCC2CO2)COCC3CO3

InChI

InChI=1S/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3

InChIKey

QECCQGLIYMMHCR-UHFFFAOYSA-N

Compound name

2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 18227
Patents: 302.17294 Da
Monoisotopic Mass: -0.1
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]+	303.180216	184.5
[M+Na]+	325.162158	186.3
[M-H]-	301.165664	192.8
[M+NH4]+	320.206763	180.8
[M+K]+	341.136098	190.2
[M+H-H2O]+	285.170200	177.9
[M+HCOO]-	347.171141	194.9
[M+CH3COO]-	361.186791	220.7
[M+Na-2H]-	323.147606	185.4
[M]+	302.17239142	195.3
[M]-	302.17348858	195.3

Literature stripe

literature stripe

Patent stripe

patents stripe