CID 71586940

Oleyl ethyl phosphate

Structural Information

Molecular Formula
C20H39O5P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)OCC
InChI
InChI=1S/C20H39O5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)25-26(22,23)24-4-2/h11-12H,3-10,13-19H2,1-2H3,(H,22,23)/b12-11-
InChIKey
ILYTUKNTXBTWLC-QXMHVHEDSA-N
Compound name
[ethoxy(hydroxy)phosphoryl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
Patents

390.2535 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.26078 206.4
[M+Na]+ 413.24272 205.3
[M-H]- 389.24622 190.8
[M+NH4]+ 408.28732 201.1
[M+K]+ 429.21666 204.5
[M+H-H2O]+ 373.25076 197.2
[M+HCOO]- 435.25170 214.4
[M+CH3COO]- 449.26735 220.5
[M+Na-2H]- 411.22817 202.1
[M]+ 390.25295 198.7
[M]- 390.25405 198.7
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

patents stripe