CID 5313912

Pc(o-16:0/6:0)

Structural Information

Molecular Formula
C30H63NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC
InChI
InChI=1S/C30H62NO7P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-25-35-27-29(38-30(32)23-21-9-7-2)28-37-39(33,34)36-26-24-31(3,4)5/h29H,6-28H2,1-5H3/p+1/t29-/m1/s1
InChIKey
VTCXGJHVXXXOKR-GDLZYMKVSA-O
Compound name
2-[[(2R)-3-hexadecoxy-2-hexanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

580.4342 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.44148 249.6
[M+Na]+ 603.42342 252.4
[M-H]- 579.42692 244.1
[M+NH4]+ 598.46802 255.1
[M+K]+ 619.39736 250.6
[M+H-H2O]+ 563.43146 235.1
[M+HCOO]- 625.43240 260.4
[M+CH3COO]- 639.44805 255.8
[M+Na-2H]- 601.40887 232.0
[M]+ 580.43365 247.2
[M]- 580.43475 247.2
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

patents stripe