CID 69348

Glycol dilaurate

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
ZVUNTIMPQCQCAQ-UHFFFAOYSA-N
Compound name
2-dodecanoyloxyethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16143
Patents

426.3709 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.37818 219.5
[M+Na]+ 449.36012 218.5
[M-H]- 425.36362 207.6
[M+NH4]+ 444.40472 222.0
[M+K]+ 465.33406 214.8
[M+H-H2O]+ 409.36816 211.0
[M+HCOO]- 471.36910 229.5
[M+CH3COO]- 485.38475 232.9
[M+Na-2H]- 447.34557 213.6
[M]+ 426.37035 221.3
[M]- 426.37145 221.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe