CID 165946584

2703774-75-6

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]+ 181.052516 134.9
[M+Na]+ 203.034458 145.3
[M-H]- 179.037964 136.1
[M+NH4]+ 198.079063 152.3
[M+K]+ 219.008398 143.2
[M+H-H2O]+ 163.042500 120.4
[M+HCOO]- 225.043441 158.4
[M+CH3COO]- 239.059091 193.9
[M+Na-2H]- 201.019906 139.6
[M]+ 180.04469142 131.6
[M]- 180.04578858 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.