CID 44159681

Chembl4632820

Structural Information

Molecular Formula
C22H43O7P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C22H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h10-11,21,23H,2-9,12-20H2,1H3,(H2,25,26,27)/b11-10-/t21-/m1/s1
InChIKey
PBTCGPITOGPANY-KUFMOJEASA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

450.27463 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.28191 210.7
[M+Na]+ 473.26385 213.2
[M-H]- 449.26735 202.9
[M+NH4]+ 468.30845 210.3
[M+K]+ 489.23779 208.8
[M+H-H2O]+ 433.27189 201.1
[M+HCOO]- 495.27283 218.8
[M+CH3COO]- 509.28848 226.3
[M+Na-2H]- 471.24930 195.6
[M]+ 450.27408 207.1
[M]- 450.27518 207.1
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