CID 6436542

Icosyl oleate

Structural Information

Molecular Formula
C38H74O2
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3/b22-18-
InChIKey
HKJBUPVMFYBSHI-PYCFMQQDSA-N
Compound name
icosyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
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 257.6
[M+Na]+ 585.55812 258.7
[M+NH4]+ 580.60272 255.7
[M+K]+ 601.53206 257.9
[M-H]- 561.56162 238.1
[M+Na-2H]- 583.54357 255.1
[M]+ 562.56835 252.2
[M]- 562.56945 252.2
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