CID 6445148

2-(3-pyridyl)vinylphosphonic acid dibutyl ester

Structural Information

Molecular Formula
C15H24NO3P
SMILES
CCCCOP(=O)(/C=C/C1=CN=CC=C1)OCCCC
InChI
InChI=1S/C15H24NO3P/c1-3-5-11-18-20(17,19-12-6-4-2)13-9-15-8-7-10-16-14-15/h7-10,13-14H,3-6,11-12H2,1-2H3/b13-9+
InChIKey
UQOWBCKRGOKJFD-UKTHLTGXSA-N
Compound name
3-[(E)-2-dibutoxyphosphorylethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15666 172.3
[M+Na]+ 320.13860 182.3
[M+NH4]+ 315.18320 177.6
[M+K]+ 336.11254 175.7
[M-H]- 296.14210 171.5
[M+Na-2H]- 318.12405 176.4
[M]+ 297.14883 173.2
[M]- 297.14993 173.2
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.