CID 52924062

1-eicosyl-glycero-3-phosphocholine

Structural Information

Molecular Formula
C28H61NO6P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H60NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-33-26-28(30)27-35-36(31,32)34-25-23-29(2,3)4/h28,30H,5-27H2,1-4H3/p+1/t28-/m1/s1
InChIKey
GZGHIJOEOOMFMM-MUUNZHRXSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-icosoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

538.42365 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.43093 242.0
[M+Na]+ 561.41287 243.7
[M-H]- 537.41637 233.8
[M+NH4]+ 556.45747 242.7
[M+K]+ 577.38681 241.0
[M+H-H2O]+ 521.42091 225.8
[M+HCOO]- 583.42185 253.6
[M+CH3COO]- 597.43750 246.9
[M+Na-2H]- 559.39832 223.8
[M]+ 538.42310 238.1
[M]- 538.42420 238.1
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.