CID 5313816

19191-91-4

Structural Information

Molecular Formula
C24H49NO8P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChI
InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/p+1/t22-/m1/s1
InChIKey
YHIXRNNWDBPKPW-JOCHJYFZSA-O
Compound name
2-[[(2R)-2,3-di(octanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

377
Patents

510.31958 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.32686 227.5
[M+Na]+ 533.30880 232.2
[M-H]- 509.31230 227.3
[M+NH4]+ 528.35340 236.0
[M+K]+ 549.28274 227.8
[M+H-H2O]+ 493.31684 214.7
[M+HCOO]- 555.31778 239.2
[M+CH3COO]- 569.33343 239.5
[M+Na-2H]- 531.29425 213.6
[M]+ 510.31903 225.8
[M]- 510.32013 225.8
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