CID 3082275

1,2-dinonanoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C26H53NO8P
SMILES
CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
InChI
InChI=1S/C26H52NO8P/c1-6-8-10-12-14-16-18-25(28)32-22-24(35-26(29)19-17-15-13-11-9-7-2)23-34-36(30,31)33-21-20-27(3,4)5/h24H,6-23H2,1-5H3/p+1/t24-/m1/s1
InChIKey
CKGVBFQDYSPMSY-XMMPIXPASA-O
Compound name
2-[[(2R)-2,3-di(nonanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

277
Patents

538.3509 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.35818 234.8
[M+Na]+ 561.34012 239.1
[M-H]- 537.34362 233.8
[M+NH4]+ 556.38472 243.1
[M+K]+ 577.31406 235.5
[M+H-H2O]+ 521.34816 221.7
[M+HCOO]- 583.34910 245.6
[M+CH3COO]- 597.36475 245.2
[M+Na-2H]- 559.32557 219.9
[M]+ 538.35035 233.0
[M]- 538.35145 233.0
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

patents stripe