CID 5313260

Pc(16:0/3:1)

Structural Information

Molecular Formula
C27H53NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C=C
InChI
InChI=1S/C27H52NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-25(36-26(29)7-2)24-35-37(31,32)34-22-21-28(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3/p+1/t25-/m1/s1
InChIKey
ABBJFAPTMAEFAL-RUZDIDTESA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-prop-2-enoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

550.3509 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.35818 235.7
[M+Na]+ 573.34012 240.4
[M-H]- 549.34362 235.1
[M+NH4]+ 568.38472 244.4
[M+K]+ 589.31406 236.9
[M+H-H2O]+ 533.34816 222.5
[M+HCOO]- 595.34910 246.9
[M+CH3COO]- 609.36475 247.1
[M+Na-2H]- 571.32557 220.9
[M]+ 550.35035 233.8
[M]- 550.35145 233.8
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.