CID 52922443

Pc(16:1(9z)/17:0)

Structural Information

Molecular Formula
C41H81NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,39H,6-16,18,20-38H2,1-5H3/p+1/b19-17-/t39-/m1/s1
InChIKey
OFRWLQSOUIZELQ-VEAYGOGPSA-O
Compound name
2-[[(2R)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

746.57 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.57728 283.9
[M+Na]+ 769.55922 285.9
[M-H]- 745.56272 278.1
[M+NH4]+ 764.60382 292.2
[M+K]+ 785.53316 288.2
[M+H-H2O]+ 729.56726 269.1
[M+HCOO]- 791.56820 289.5
[M+CH3COO]- 805.58385 284.9
[M+Na-2H]- 767.54467 263.1
[M]+ 746.56945 282.2
[M]- 746.57055 282.2
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.