CID 52927254

Pg(o-16:0/15:1(9z))

Structural Information

Molecular Formula
C37H73O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C37H73O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-43-33-36(34-45-47(41,42)44-32-35(39)31-38)46-37(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,35-36,38-39H,3-11,13,15-34H2,1-2H3,(H,41,42)/b14-12-/t35-,36+/m0/s1
InChIKey
MBGNYMGHTPTNMF-PETUGVCGSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.4992 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.50648 270.4
[M+Na]+ 715.48842 269.5
[M-H]- 691.49192 259.4
[M+NH4]+ 710.53302 272.5
[M+K]+ 731.46236 271.7
[M+H-H2O]+ 675.49646 259.7
[M+HCOO]- 737.49740 269.8
[M+CH3COO]- 751.51305 272.8
[M+Na-2H]- 713.47387 248.2
[M]+ 692.49865 268.0
[M]- 692.49975 268.0
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.