CID 5280612

1-oleoylglycerone 3-phosphate(2-)

Structural Information

Molecular Formula
C21H39O7P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)(O)O
InChI
InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
InChIKey
YZKFNNQAEBNCEN-KTKRTIGZSA-N
Compound name
(2-oxo-3-phosphonooxypropyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

434.24335 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25063 205.8
[M+Na]+ 457.23257 210.1
[M-H]- 433.23607 199.6
[M+NH4]+ 452.27717 208.1
[M+K]+ 473.20651 204.9
[M+H-H2O]+ 417.24061 197.6
[M+HCOO]- 479.24155 216.8
[M+CH3COO]- 493.25720 224.9
[M+Na-2H]- 455.21802 192.5
[M]+ 434.24280 203.5
[M]- 434.24390 203.5
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