CID 71768170

2-linoleoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C26H51NO7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-/t25-/m1/s1
InChIKey
LSUXCWJOIAWGOU-FTJOPAKQSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

520.34033 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.34761 228.8
[M+Na]+ 543.32955 232.7
[M-H]- 519.33305 226.0
[M+NH4]+ 538.37415 232.9
[M+K]+ 559.30349 228.2
[M+H-H2O]+ 503.33759 213.8
[M+HCOO]- 565.33853 241.3
[M+CH3COO]- 579.35418 238.7
[M+Na-2H]- 541.31500 213.5
[M]+ 520.33978 224.9
[M]- 520.34088 224.9
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.