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

14583
Patents

288.23007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.