CID 52929510

Pa(14:1(9z)/14:1(9z))

Structural Information

Molecular Formula
C31H57O8P
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C31H57O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,29H,3-8,13-28H2,1-2H3,(H2,34,35,36)/b11-9-,12-10-/t29-/m1/s1
InChIKey
WAHAFKLDHYLSIB-DNUNUQSRSA-N
Compound name
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.3791 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.38638 243.4
[M+Na]+ 611.36832 246.5
[M-H]- 587.37182 236.4
[M+NH4]+ 606.41292 248.1
[M+K]+ 627.34226 245.3
[M+H-H2O]+ 571.37636 234.7
[M+HCOO]- 633.37730 248.8
[M+CH3COO]- 647.39295 254.2
[M+Na-2H]- 609.35377 226.2
[M]+ 588.37855 241.2
[M]- 588.37965 241.2
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.