CID 42607329

Hexadecyl tricosanoate

Structural Information

Molecular Formula
C39H78O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H78O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39(40)41-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey
KVPNEQOFBDJTSL-UHFFFAOYSA-N
Compound name
hexadecyl tricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.60016 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.60744 264.7
[M+Na]+ 601.58938 269.5
[M-H]- 577.59288 243.8
[M+NH4]+ 596.63398 262.9
[M+K]+ 617.56332 272.0
[M+H-H2O]+ 561.59742 263.8
[M+HCOO]- 623.59836 270.6
[M+CH3COO]- 637.61401 267.0
[M+Na-2H]- 599.57483 246.9
[M]+ 578.59961 265.2
[M]- 578.60071 265.2
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.