CID 52928855

Pa(17:1(9z)/19:0)

Structural Information

Molecular Formula
C39H75O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18,37H,3-15,17,19-36H2,1-2H3,(H2,42,43,44)/b18-16-/t37-/m1/s1
InChIKey
NIFCEOINAAFGNA-WTWBAFHPSA-N
Compound name
[(2R)-1-[(Z)-heptadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.51996 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.52724 272.6
[M+Na]+ 725.50918 273.6
[M-H]- 701.51268 261.6
[M+NH4]+ 720.55378 276.7
[M+K]+ 741.48312 276.2
[M+H-H2O]+ 685.51722 262.9
[M+HCOO]- 747.51816 273.9
[M+CH3COO]- 761.53381 277.4
[M+Na-2H]- 723.49463 251.4
[M]+ 702.51941 270.9
[M]- 702.52051 270.9
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.