CID 46316848

4-amino-2-(pyridin-4-yl)benzonitrile

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC(=C(C=C1N)C2=CC=NC=C2)C#N
InChI
InChI=1S/C12H9N3/c13-8-10-1-2-11(14)7-12(10)9-3-5-15-6-4-9/h1-7H,14H2
InChIKey
YCDDXDRCFDAOKK-UHFFFAOYSA-N
Compound name
4-amino-2-pyridin-4-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.07965 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08693 146.0
[M+Na]+ 218.06887 156.5
[M-H]- 194.07237 149.8
[M+NH4]+ 213.11347 161.5
[M+K]+ 234.04281 151.0
[M+H-H2O]+ 178.07691 131.7
[M+HCOO]- 240.07785 166.1
[M+CH3COO]- 254.09350 157.2
[M+Na-2H]- 216.05432 152.0
[M]+ 195.07910 138.7
[M]- 195.08020 138.7
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.