CID 17786813

Lysopa(i-20:0/0:0)

Structural Information

Molecular Formula
C23H47O7P
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C23H47O7P/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(25)29-19-22(24)20-30-31(26,27)28/h21-22,24H,3-20H2,1-2H3,(H2,26,27,28)
InChIKey
AUOZPUVRJSFDEQ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

466.30594 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31322 216.1
[M+Na]+ 489.29516 218.4
[M-H]- 465.29866 208.6
[M+NH4]+ 484.33976 217.0
[M+K]+ 505.26910 215.4
[M+H-H2O]+ 449.30320 206.9
[M+HCOO]- 511.30414 220.6
[M+CH3COO]- 525.31979 231.4
[M+Na-2H]- 487.28061 200.7
[M]+ 466.30539 212.9
[M]- 466.30649 212.9
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