CID 52923731

Pc(o-16:0/12:0)

Structural Information

Molecular Formula
C36H75NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C36H74NO7P/c1-6-8-10-12-14-16-17-18-19-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37(3,4)5)44-36(38)29-27-25-23-21-15-13-11-9-7-2/h35H,6-34H2,1-5H3/p+1/t35-/m1/s1
InChIKey
KHBYFGSOHHSLQJ-PGUFJCEWSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.52814 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.53542 270.3
[M+Na]+ 687.51736 272.0
[M-H]- 663.52086 262.5
[M+NH4]+ 682.56196 275.7
[M+K]+ 703.49130 272.7
[M+H-H2O]+ 647.52540 255.1
[M+HCOO]- 709.52634 278.7
[M+CH3COO]- 723.54199 272.4
[M+Na-2H]- 685.50281 250.1
[M]+ 664.52759 267.9
[M]- 664.52869 267.9
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.