CID 52928637

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

Structural Information

Molecular Formula
C29H55O8P
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C29H55O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h9,11,27H,3-8,10,12-26H2,1-2H3,(H2,32,33,34)/b11-9-/t27-/m1/s1
InChIKey
JIEKTNYKXHHALN-YLYQOIPRSA-N
Compound name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-tetradec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.36346 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.37074 238.5
[M+Na]+ 585.35268 241.4
[M-H]- 561.35618 231.4
[M+NH4]+ 580.39728 242.9
[M+K]+ 601.32662 239.7
[M+H-H2O]+ 545.36072 230.0
[M+HCOO]- 607.36166 243.9
[M+CH3COO]- 621.37731 249.9
[M+Na-2H]- 583.33813 221.6
[M]+ 562.36291 236.4
[M]- 562.36401 236.4
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.