CID 3063570

2-pyridylmethylphosphonic acid dibutyl ester

Structural Information

Molecular Formula
C14H24NO3P
SMILES
CCCCOP(=O)(CC1=CC=CC=N1)OCCCC
InChI
InChI=1S/C14H24NO3P/c1-3-5-11-17-19(16,18-12-6-4-2)13-14-9-7-8-10-15-14/h7-10H,3-6,11-13H2,1-2H3
InChIKey
KDORGLXPFUPNAR-UHFFFAOYSA-N
Compound name
2-(dibutoxyphosphorylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15666 172.1
[M+Na]+ 308.13860 177.2
[M-H]- 284.14210 172.1
[M+NH4]+ 303.18320 187.0
[M+K]+ 324.11254 175.2
[M+H-H2O]+ 268.14664 161.9
[M+HCOO]- 330.14758 198.0
[M+CH3COO]- 344.16323 201.6
[M+Na-2H]- 306.12405 174.4
[M]+ 285.14883 178.7
[M]- 285.14993 178.7
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.