CID 3058434

2-((4-pyridinylmethylene)amino)benzonitrile monohydrochloride

Structural Information

Molecular Formula
C13H9N3
SMILES
C1=CC=C(C(=C1)C#N)N=CC2=CC=NC=C2
InChI
InChI=1S/C13H9N3/c14-9-12-3-1-2-4-13(12)16-10-11-5-7-15-8-6-11/h1-8,10H
InChIKey
GTEAWPUMVUZIST-UHFFFAOYSA-N
Compound name
2-(pyridin-4-ylmethylideneamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.07965 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08693 148.2
[M+Na]+ 230.06887 158.1
[M-H]- 206.07237 153.0
[M+NH4]+ 225.11347 163.7
[M+K]+ 246.04281 152.7
[M+H-H2O]+ 190.07691 133.0
[M+HCOO]- 252.07785 169.9
[M+CH3COO]- 266.09350 159.6
[M+Na-2H]- 228.05432 155.7
[M]+ 207.07910 142.6
[M]- 207.08020 142.6
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.