CID 5369123

Oleic anhydride

Structural Information

Molecular Formula
C36H66O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey
OCNZHGHKKQOQCZ-CLFAGFIQSA-N
Compound name
[(Z)-octadec-9-enoyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1323
Patents

546.5012 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.50848 248.8
[M+Na]+ 569.49042 256.1
[M-H]- 545.49392 233.8
[M+NH4]+ 564.53502 250.6
[M+K]+ 585.46436 256.3
[M+H-H2O]+ 529.49846 249.3
[M+HCOO]- 591.49940 256.3
[M+CH3COO]- 605.51505 257.0
[M+Na-2H]- 567.47587 234.3
[M]+ 546.50065 249.1
[M]- 546.50175 249.1
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