CID 131750815

Lysopc a c26:1

Structural Information

Molecular Formula
C34H69NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC/C=C/CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C34H68NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h24-25,33,36H,5-23,26-32H2,1-4H3/p+1/b25-24+/t33-/m1/s1
InChIKey
HHNUOPXCCKOIPL-VTFFUMFSSA-O
Compound name
2-[[(2R)-3-[(E)-hexacos-5-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.48114 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.48842 259.1
[M+Na]+ 657.47036 260.7
[M-H]- 633.47386 252.4
[M+NH4]+ 652.51496 262.5
[M+K]+ 673.44430 260.1
[M+H-H2O]+ 617.47840 243.0
[M+HCOO]- 679.47934 267.5
[M+CH3COO]- 693.49499 262.9
[M+Na-2H]- 655.45581 239.6
[M]+ 634.48059 255.2
[M]- 634.48169 255.2
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.