CID 5367705

Oleyl arachidate

Structural Information

Molecular Formula
C38H74O2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-37H2,1-2H3/b20-18-
InChIKey
HWRYIWKGLJIMLG-ZZEZOPTASA-N
Compound name
[(Z)-octadec-9-enyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

108
Patents

562.5689 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.57618 258.8
[M+Na]+ 585.55812 264.4
[M-H]- 561.56162 239.1
[M+NH4]+ 580.60272 257.4
[M+K]+ 601.53206 266.0
[M+H-H2O]+ 545.56616 258.1
[M+HCOO]- 607.56710 266.0
[M+CH3COO]- 621.58275 262.9
[M+Na-2H]- 583.54357 242.1
[M]+ 562.56835 259.2
[M]- 562.56945 259.2
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