CID 131821854

Lysopa(a-25:0/0:0)

Structural Information

Molecular Formula
C28H57O7P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C28H57O7P/c1-3-26(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-28(30)34-24-27(29)25-35-36(31,32)33/h26-27,29H,3-25H2,1-2H3,(H2,31,32,33)
InChIKey
SNRYVUFKJWZTSR-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

536.3842 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.39148 234.0
[M+Na]+ 559.37342 235.3
[M-H]- 535.37692 224.5
[M+NH4]+ 554.41802 234.6
[M+K]+ 575.34736 234.4
[M+H-H2O]+ 519.38146 224.1
[M+HCOO]- 581.38240 236.4
[M+CH3COO]- 595.39805 245.7
[M+Na-2H]- 557.35887 216.2
[M]+ 536.38365 230.6
[M]- 536.38475 230.6
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