CID 5313948

Pc(o-18:0/3:1(2e))

Structural Information

Molecular Formula
C29H59NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C=C
InChI
InChI=1S/C29H58NO7P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-34-26-28(37-29(31)7-2)27-36-38(32,33)35-25-23-30(3,4)5/h7,28H,2,6,8-27H2,1,3-5H3/p+1/t28-/m1/s1
InChIKey
RBNQOFGDVZJUEQ-MUUNZHRXSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecoxy-2-prop-2-enoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.4029 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.41018 243.2
[M+Na]+ 587.39212 246.9
[M-H]- 563.39562 238.8
[M+NH4]+ 582.43672 249.1
[M+K]+ 603.36606 244.2
[M+H-H2O]+ 547.40016 229.0
[M+HCOO]- 609.40110 255.2
[M+CH3COO]- 623.41675 252.0
[M+Na-2H]- 585.37757 226.7
[M]+ 564.40235 240.8
[M]- 564.40345 240.8
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.