CID 5283533

Chembl4633208

Structural Information

Molecular Formula
C20H39O7P
SMILES
CCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C20H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h8-9,19,21H,2-7,10-18H2,1H3,(H2,23,24,25)/b9-8-/t19-/m1/s1
InChIKey
PIVUMJCNAUHUPL-OLHLWXQYSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (Z)-heptadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

422.24335 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25063 203.3
[M+Na]+ 445.23257 206.2
[M-H]- 421.23607 196.3
[M+NH4]+ 440.27717 203.1
[M+K]+ 461.20651 201.0
[M+H-H2O]+ 405.24061 194.0
[M+HCOO]- 467.24155 212.3
[M+CH3COO]- 481.25720 220.5
[M+Na-2H]- 443.21802 189.2
[M]+ 422.24280 199.9
[M]- 422.24390 199.9
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