CID 52926374

Pg(14:1(9z)/12:0)

Structural Information

Molecular Formula
C32H61O10P
SMILES
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C32H61O10P/c1-3-5-7-9-11-13-14-16-17-19-21-23-31(35)39-27-30(28-41-43(37,38)40-26-29(34)25-33)42-32(36)24-22-20-18-15-12-10-8-6-4-2/h9,11,29-30,33-34H,3-8,10,12-28H2,1-2H3,(H,37,38)/b11-9-/t29-,30+/m0/s1
InChIKey
JVBVSKMZAJDIHI-UJWMCUGQSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.4002 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.40748 255.3
[M+Na]+ 659.38942 255.9
[M-H]- 635.39292 249.2
[M+NH4]+ 654.43402 260.2
[M+K]+ 675.36336 255.9
[M+H-H2O]+ 619.39746 245.9
[M+HCOO]- 681.39840 255.0
[M+CH3COO]- 695.41405 260.5
[M+Na-2H]- 657.37487 235.9
[M]+ 636.39965 253.3
[M]- 636.40075 253.3
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.