CID 52922161

Pc(13:0/14:0)

Structural Information

Molecular Formula
C35H71NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C35H70NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36(3,4)5)31-41-34(37)27-25-23-21-19-17-15-13-11-9-7-2/h33H,6-32H2,1-5H3/p+1/t33-/m1/s1
InChIKey
XUVBJCSDUTWTAN-MGBGTMOVSA-O
Compound name
2-[hydroxy-[(2R)-2-tetradecanoyloxy-3-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.49176 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.49904 266.3
[M+Na]+ 687.48098 268.8
[M-H]- 663.48448 261.8
[M+NH4]+ 682.52558 274.3
[M+K]+ 703.45492 269.0
[M+H-H2O]+ 647.48902 252.0
[M+HCOO]- 709.48996 273.4
[M+CH3COO]- 723.50561 270.2
[M+Na-2H]- 685.46643 247.4
[M]+ 664.49121 264.4
[M]- 664.49231 264.4
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.