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]+ 196.086926 146.0
[M+Na]+ 218.068868 156.5
[M-H]- 194.072374 149.8
[M+NH4]+ 213.113473 161.5
[M+K]+ 234.042808 151.0
[M+H-H2O]+ 178.076910 131.7
[M+HCOO]- 240.077851 166.1
[M+CH3COO]- 254.093501 157.2
[M+Na-2H]- 216.054316 152.0
[M]+ 195.07910142 138.7
[M]- 195.08019858 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.