CID 102496568

Pob-pc

Structural Information

Molecular Formula
C28H55NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=O
InChI
InChI=1S/C28H54NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27(31)35-24-26(38-28(32)20-18-22-30)25-37-39(33,34)36-23-21-29(2,3)4/h22,26H,5-21,23-25H2,1-4H3/p+1/t26-/m1/s1
InChIKey
BHSGUPRVLFLKQP-AREMUKBSSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-(4-oxobutanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

580.36145 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.36873 242.4
[M+Na]+ 603.35067 246.3
[M-H]- 579.35417 242.0
[M+NH4]+ 598.39527 251.7
[M+K]+ 619.32461 243.1
[M+H-H2O]+ 563.35871 229.2
[M+HCOO]- 625.35965 253.0
[M+CH3COO]- 639.37530 251.7
[M+Na-2H]- 601.33612 226.7
[M]+ 580.36090 240.8
[M]- 580.36200 240.8
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.