CID 165946584

2-(dimethylphosphoryl)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C8H9N2OP
SMILES
CP(=O)(C)C1=NC=CC(=C1)C#N
InChI
InChI=1S/C8H9N2OP/c1-12(2,11)8-5-7(6-9)3-4-10-8/h3-5H,1-2H3
InChIKey
SSGUQAPJDCJVQY-UHFFFAOYSA-N
Compound name
2-dimethylphosphorylpyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04524 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05252 134.9
[M+Na]+ 203.03446 145.3
[M-H]- 179.03796 136.1
[M+NH4]+ 198.07906 152.3
[M+K]+ 219.00840 143.2
[M+H-H2O]+ 163.04250 120.4
[M+HCOO]- 225.04344 158.4
[M+CH3COO]- 239.05909 193.9
[M+Na-2H]- 201.01991 139.6
[M]+ 180.04469 131.6
[M]- 180.04579 131.6
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.