CID 5313015

Pc(11:0/11:0)

Structural Information

Molecular Formula
C30H61NO8P
SMILES
CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCC
InChI
InChI=1S/C30H60NO8P/c1-6-8-10-12-14-16-18-20-22-29(32)36-26-28(27-38-40(34,35)37-25-24-31(3,4)5)39-30(33)23-21-19-17-15-13-11-9-7-2/h28H,6-27H2,1-5H3/p+1/t28-/m1/s1
InChIKey
XCCDCYFQYUARAY-MUUNZHRXSA-O
Compound name
2-[[(2R)-2,3-di(undecanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

904
Patents

594.41345 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.42073 249.0
[M+Na]+ 617.40267 252.5
[M-H]- 593.40617 246.5
[M+NH4]+ 612.44727 257.2
[M+K]+ 633.37661 250.6
[M+H-H2O]+ 577.41071 235.4
[M+HCOO]- 639.41165 258.2
[M+CH3COO]- 653.42730 256.4
[M+Na-2H]- 615.38812 232.3
[M]+ 594.41290 247.1
[M]- 594.41400 247.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe