CID 52928688

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

Structural Information

Molecular Formula
C34H65O8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCC
InChI
InChI=1S/C34H65O8P/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-34(36)42-32(31-41-43(37,38)39)30-40-33(35)28-26-24-22-20-18-14-12-10-8-6-4-2/h15-16,32H,3-14,17-31H2,1-2H3,(H2,37,38,39)/b16-15-/t32-/m1/s1
InChIKey
AHPCVHWDUMCHAJ-RODWKEFJSA-N
Compound name
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
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]+ 633.44898 255.8
[M+Na]+ 655.43092 257.8
[M-H]- 631.43442 246.7
[M+NH4]+ 650.47552 260.0
[M+K]+ 671.40486 258.2
[M+H-H2O]+ 615.43896 246.7
[M+HCOO]- 677.43990 259.1
[M+CH3COO]- 691.45555 263.8
[M+Na-2H]- 653.41637 236.7
[M]+ 632.44115 253.9
[M]- 632.44225 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.