CID 52926335

Pg(13:0/14:1(9z))

Structural Information

Molecular Formula
C33H63O10P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C33H63O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)43-31(29-42-44(38,39)41-27-30(35)26-34)28-40-32(36)24-22-20-18-16-14-12-10-8-6-4-2/h9,11,30-31,34-35H,3-8,10,12-29H2,1-2H3,(H,38,39)/b11-9-/t30-,31+/m0/s1
InChIKey
KXGQVUOZHICTOQ-XXFKESNDSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.4159 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.42318 258.7
[M+Na]+ 673.40512 259.2
[M-H]- 649.40862 252.2
[M+NH4]+ 668.44972 263.6
[M+K]+ 689.37906 259.6
[M+H-H2O]+ 633.41316 249.2
[M+HCOO]- 695.41410 258.0
[M+CH3COO]- 709.42975 263.2
[M+Na-2H]- 671.39057 238.9
[M]+ 650.41535 256.7
[M]- 650.41645 256.7
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.