CID 52929756

Pa(17:2(9z,12z)/0:0)

Structural Information

Molecular Formula
C20H37O7P
SMILES
CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C20H37O7P/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/h5-6,8-9,19,21H,2-4,7,10-18H2,1H3,(H2,23,24,25)/b6-5-,9-8-/t19-/m1/s1
InChIKey
BZKPZZCBZNVVMB-REFGTHLASA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2277 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23498 201.1
[M+Na]+ 443.21692 204.6
[M-H]- 419.22042 194.9
[M+NH4]+ 438.26152 201.2
[M+K]+ 459.19086 198.9
[M+H-H2O]+ 403.22496 191.9
[M+HCOO]- 465.22590 210.9
[M+CH3COO]- 479.24155 219.0
[M+Na-2H]- 441.20237 187.5
[M]+ 420.22715 197.5
[M]- 420.22825 197.5
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.