CID 52923733

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

Structural Information

Molecular Formula
C37H77NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C37H76NO7P/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/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1
InChIKey
WYFHLWFHBVGJLH-PSXMRANNSA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.54376 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.55104 273.7
[M+Na]+ 701.53298 275.2
[M-H]- 677.53648 265.5
[M+NH4]+ 696.57758 279.0
[M+K]+ 717.50692 276.3
[M+H-H2O]+ 661.54102 258.4
[M+HCOO]- 723.54196 281.7
[M+CH3COO]- 737.55761 275.1
[M+Na-2H]- 699.51843 253.1
[M]+ 678.54321 271.3
[M]- 678.54431 271.3
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.