CID 134812508

Os-pa

Structural Information

Molecular Formula
C25H45O10P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)O
InChI
InChI=1S/C25H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)33-20-22(21-34-36(30,31)32)35-25(29)19-18-23(26)27/h9-10,22H,2-8,11-21H2,1H3,(H,26,27)(H2,30,31,32)/b10-9-/t22-/m1/s1
InChIKey
YXLMBHUIKSDLSM-MZMPXXGTSA-N
Compound name
4-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.275 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.28228 228.3
[M+Na]+ 559.26422 230.8
[M-H]- 535.26772 225.7
[M+NH4]+ 554.30882 233.8
[M+K]+ 575.23816 227.5
[M+H-H2O]+ 519.27226 219.8
[M+HCOO]- 581.27320 231.7
[M+CH3COO]- 595.28885 240.4
[M+Na-2H]- 557.24967 212.5
[M]+ 536.27445 225.9
[M]- 536.27555 225.9
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

No patent data available for this compound.