CID 5313106

Pc(14:0/2:0)

Structural Information

Molecular Formula
C24H49NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C24H48NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-20-23(33-22(2)26)21-32-34(28,29)31-19-18-25(3,4)5/h23H,6-21H2,1-5H3/p+1/t23-/m1/s1
InChIKey
ZEECREVTOCXSIM-HSZRJFAPSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

510.31958 Da
Monoisotopic Mass

5.1
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

No literature data available for this compound.

Patent stripe

patents stripe