CID 52922966

Pc(19:0/19:1(9z))

Structural Information

Molecular Formula
C46H91NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h23,25,44H,6-22,24,26-43H2,1-5H3/p+1/b25-23-/t44-/m1/s1
InChIKey
KYTDRWXVMPGCBJ-IBBOYIKTSA-O
Compound name
2-[hydroxy-[(2R)-3-nonadecanoyloxy-2-[(Z)-nonadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

816.64825 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.65553 299.9
[M+Na]+ 839.63747 300.9
[M-H]- 815.64097 292.1
[M+NH4]+ 834.68207 308.1
[M+K]+ 855.61141 305.3
[M+H-H2O]+ 799.64551 284.6
[M+HCOO]- 861.64645 303.5
[M+CH3COO]- 875.66210 298.0
[M+Na-2H]- 837.62292 277.1
[M]+ 816.64770 298.6
[M]- 816.64880 298.6
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.