CID 52923873

Pc(p-16:0/13:0)

Structural Information

Molecular Formula
C37H75NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C37H74NO7P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-32-42-34-36(35-44-46(40,41)43-33-31-38(3,4)5)45-37(39)30-28-26-24-22-17-15-13-11-9-7-2/h29,32,36H,6-28,30-31,33-35H2,1-5H3/p+1/b32-29-/t36-/m1/s1
InChIKey
QIBAIVDYGYNLNU-PXOIRPRXSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

676.52814 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.53542 271.3
[M+Na]+ 699.51736 273.4
[M-H]- 675.52086 263.9
[M+NH4]+ 694.56196 277.0
[M+K]+ 715.49130 274.0
[M+H-H2O]+ 659.52540 256.1
[M+HCOO]- 721.52634 280.1
[M+CH3COO]- 735.54199 273.6
[M+Na-2H]- 697.50281 251.2
[M]+ 676.52759 268.7
[M]- 676.52869 268.7
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.