CID 87981266

Lpa 22:1

Structural Information

Molecular Formula
C25H49O7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h9-10,24,26H,2-8,11-23H2,1H3,(H2,28,29,30)/b10-9-
InChIKey
UXYLIEZFFBAJAG-KTKRTIGZSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (Z)-docos-13-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

492.3216 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.32888 221.5
[M+Na]+ 515.31082 223.4
[M-H]- 491.31432 212.5
[M+NH4]+ 510.35542 221.0
[M+K]+ 531.28476 220.3
[M+H-H2O]+ 475.31886 211.5
[M+HCOO]- 537.31980 228.4
[M+CH3COO]- 551.33545 235.0
[M+Na-2H]- 513.29627 205.0
[M]+ 492.32105 217.8
[M]- 492.32215 217.8
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