CID 17786802

Lpa 24:0

Structural Information

Molecular Formula
C27H55O7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C27H55O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h26,28H,2-25H2,1H3,(H2,30,31,32)
InChIKey
NNKULLNAFVPJMY-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

522.3685 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.37578 231.0
[M+Na]+ 545.35772 232.0
[M-H]- 521.36122 220.4
[M+NH4]+ 540.40232 230.1
[M+K]+ 561.33166 230.1
[M+H-H2O]+ 505.36576 220.6
[M+HCOO]- 567.36670 236.2
[M+CH3COO]- 581.38235 242.1
[M+Na-2H]- 543.34317 213.0
[M]+ 522.36795 227.4
[M]- 522.36905 227.4
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