CID 131822173

Pa(24:0/18:1(9z))

Structural Information

Molecular Formula
C45H87O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C45H87O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h18,25,43H,3-17,19-24,26-42H2,1-2H3,(H2,48,49,50)/b25-18-/t43-/m1/s1
InChIKey
FSKHVCDIYFLQNQ-IUYVMLSBSA-N
Compound name
[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

786.61383 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.62111 292.0
[M+Na]+ 809.60305 292.0
[M-H]- 785.60655 278.7
[M+NH4]+ 804.64765 296.0
[M+K]+ 825.57699 297.1
[M+H-H2O]+ 769.61109 281.7
[M+HCOO]- 831.61203 291.0
[M+CH3COO]- 845.62768 293.2
[M+Na-2H]- 807.58850 268.4
[M]+ 786.61328 290.8
[M]- 786.61438 290.8
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.