CID 69347

Ethylene glycol dipalmitate

Structural Information

Molecular Formula
C34H66O4
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
IKVCSHRLYCDSFD-UHFFFAOYSA-N
Compound name
2-hexadecanoyloxyethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1704
Patents

538.4961 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.50338 248.6
[M+Na]+ 561.48532 254.5
[M-H]- 537.48882 233.4
[M+NH4]+ 556.52992 250.5
[M+K]+ 577.45926 254.7
[M+H-H2O]+ 521.49336 249.4
[M+HCOO]- 583.49430 255.2
[M+CH3COO]- 597.50995 255.6
[M+Na-2H]- 559.47077 233.5
[M]+ 538.49555 249.4
[M]- 538.49665 249.4
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