CID 5283531

Pa(17:0/14:1(9z))

Structural Information

Molecular Formula
C34H65O8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C34H65O8P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-33(35)40-30-32(31-41-43(37,38)39)42-34(36)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,32H,3-9,11,13-31H2,1-2H3,(H2,37,38,39)/b12-10-/t32-/m1/s1
InChIKey
DJHNLGNMTIWMHE-PGKKXZESSA-N
Compound name
[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.4417 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.448976 255.8
[M+Na]+ 655.430918 257.8
[M-H]- 631.434424 246.7
[M+NH4]+ 650.475523 260.0
[M+K]+ 671.404858 258.2
[M+H-H2O]+ 615.438960 246.7
[M+HCOO]- 677.439901 259.1
[M+CH3COO]- 691.455551 263.8
[M+Na-2H]- 653.416366 236.7
[M]+ 632.44115142 253.9
[M]- 632.44224858 253.9
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.