CID 86289558

1-hexadecyl-2-succinyl-sn-glycero-3-phosphocholine(1-)

Structural Information

Molecular Formula
C28H57NO9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC(=O)O
InChI
InChI=1S/C28H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-35-24-26(38-28(32)20-19-27(30)31)25-37-39(33,34)36-23-21-29(2,3)4/h26H,5-25H2,1-4H3,(H-,30,31,33,34)/p+1/t26-/m1/s1
InChIKey
ZSRRCEDBZQNHMN-AREMUKBSSA-O
Compound name
2-[[(2R)-2-(3-carboxypropanoyloxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.3771 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.38438 242.6
[M+Na]+ 605.36632 244.8
[M-H]- 581.36982 240.9
[M+NH4]+ 600.41092 249.3
[M+K]+ 621.34026 242.2
[M+H-H2O]+ 565.37436 228.1
[M+HCOO]- 627.37530 250.7
[M+CH3COO]- 641.39095 250.9
[M+Na-2H]- 603.35177 225.7
[M]+ 582.37655 239.9
[M]- 582.37765 239.9
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.