CID 52922305

Pc(15:0/14:1(9z))

Structural Information

Molecular Formula
C37H73NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C37H72NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38(3,4)5)46-37(40)30-28-26-24-22-19-17-15-13-11-9-7-2/h13,15,35H,6-12,14,16-34H2,1-5H3/p+1/b15-13-/t35-/m1/s1
InChIKey
QHCPMHATQOFCBT-JUOLSMOWSA-O
Compound name
2-[hydroxy-[(2R)-3-pentadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.5074 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.51468 270.4
[M+Na]+ 713.49662 273.5
[M+NH4]+ 708.54122 246.6
[M+K]+ 729.47056 279.1
[M-H]- 689.50012 265.0
[M+Na-2H]- 711.48207 259.7
[M]+ 690.50685 270.8
[M]- 690.50795 270.8
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.