CID 15980983

Ethylhexylglyceryl behenate

Structural Information

Molecular Formula
C33H66O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC(CC)CCCC)O
InChI
InChI=1S/C33H66O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33(35)37-30-32(34)29-36-28-31(6-3)26-8-5-2/h31-32,34H,4-30H2,1-3H3
InChIKey
OTRUEIQBIGHSMI-UHFFFAOYSA-N
Compound name
[3-(2-ethylhexoxy)-2-hydroxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20
Patents

526.4961 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.50338 246.1
[M+Na]+ 549.48532 251.1
[M-H]- 525.48882 231.6
[M+NH4]+ 544.52992 247.0
[M+K]+ 565.45926 251.9
[M+H-H2O]+ 509.49336 246.4
[M+HCOO]- 571.49430 248.2
[M+CH3COO]- 585.50995 252.4
[M+Na-2H]- 547.47077 230.8
[M]+ 526.49555 245.9
[M]- 526.49665 245.9
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

patents stripe