CID 131821928

Pa(18:1(11z)/24:1(15z))

Structural Information

Molecular Formula
C45H85O8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)O
InChI
InChI=1S/C45H85O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h14,16-17,19,43H,3-13,15,18,20-42H2,1-2H3,(H2,48,49,50)/b16-14-,19-17-/t43-/m1/s1
InChIKey
NEIYGEYWTVTCPS-WHGAUIBTSA-N
Compound name
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

784.5982 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.60548 289.8
[M+Na]+ 807.58742 290.4
[M-H]- 783.59092 277.3
[M+NH4]+ 802.63202 294.2
[M+K]+ 823.56136 295.0
[M+H-H2O]+ 767.59546 279.6
[M+HCOO]- 829.59640 289.7
[M+CH3COO]- 843.61205 292.1
[M+Na-2H]- 805.57287 266.8
[M]+ 784.59765 288.5
[M]- 784.59875 288.5
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.