CID 67330

Diethylene glycol monolaurate

Structural Information

Molecular Formula

C₁₆H₃₂O₄

SMILES

CCCCCCCCCCCC(=O)OCCOCCO

InChI

InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3

InChIKey

WGIMXKDCVCTHGW-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)ethyl dodecanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 15113
Patents: 288.23007 Da
Monoisotopic Mass: 4.4
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]+	289.23735	175.9
[M+Na]+	311.21929	178.5
[M-H]-	287.22279	172.9
[M+NH4]+	306.26389	190.9
[M+K]+	327.19323	176.6
[M+H-H2O]+	271.22733	169.2
[M+HCOO]-	333.22827	195.0
[M+CH3COO]-	347.24392	201.7
[M+Na-2H]-	309.20474	175.9
[M]+	288.22952	183.5
[M]-	288.23062	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe