CID 5789181

2-(2-pyridyl)vinylphosphonic acid dibutyl ester

Structural Information

Molecular Formula
C15H24NO3P
SMILES
CCCCOP(=O)(/C=C/C1=CC=CC=N1)OCCCC
InChI
InChI=1S/C15H24NO3P/c1-3-5-12-18-20(17,19-13-6-4-2)14-10-15-9-7-8-11-16-15/h7-11,14H,3-6,12-13H2,1-2H3/b14-10+
InChIKey
JVWJNXLTZSBRJA-GXDHUFHOSA-N
Compound name
2-[(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 175.4
[M+Na]+ 320.13860 180.5
[M-H]- 296.14210 175.3
[M+NH4]+ 315.18320 189.8
[M+K]+ 336.11254 177.7
[M+H-H2O]+ 280.14664 165.2
[M+HCOO]- 342.14758 201.2
[M+CH3COO]- 356.16323 203.1
[M+Na-2H]- 318.12405 177.2
[M]+ 297.14883 181.6
[M]- 297.14993 181.6
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.