CID 52922014

Tetracosanyl palmitoleate

Structural Information

Molecular Formula
C40H78O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-39H2,1-2H3/b16-14-
InChIKey
FAZSRFKZAYHMIP-PEZBUJJGSA-N
Compound name
tetracosyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.60016 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.60744 265.6
[M+Na]+ 613.58938 270.9
[M-H]- 589.59288 245.2
[M+NH4]+ 608.63398 264.2
[M+K]+ 629.56332 273.3
[M+H-H2O]+ 573.59742 264.7
[M+HCOO]- 635.59836 272.1
[M+CH3COO]- 649.61401 268.5
[M+Na-2H]- 611.57483 248.0
[M]+ 590.59961 265.9
[M]- 590.60071 265.9
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

No patent data available for this compound.