CID 131821856

Lysopa(i-24:0/0:0)

Structural Information

Molecular Formula
C27H55O7P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C27H55O7P/c1-25(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27(29)33-23-26(28)24-34-35(30,31)32/h25-26,28H,3-24H2,1-2H3,(H2,30,31,32)
InChIKey
WNSOEOJJSITOMW-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

522.3685 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.37578 230.5
[M+Na]+ 545.35772 231.9
[M-H]- 521.36122 221.4
[M+NH4]+ 540.40232 231.1
[M+K]+ 561.33166 230.6
[M+H-H2O]+ 505.36576 220.7
[M+HCOO]- 567.36670 233.3
[M+CH3COO]- 581.38235 242.8
[M+Na-2H]- 543.34317 213.2
[M]+ 522.36795 227.1
[M]- 522.36905 227.1
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.