CID 28412172

4-[(6-aminopyridin-3-yl)oxy]benzonitrile

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC(=CC=C1C#N)OC2=CN=C(C=C2)N
InChI
InChI=1S/C12H9N3O/c13-7-9-1-3-10(4-2-9)16-11-5-6-12(14)15-8-11/h1-6,8H,(H2,14,15)
InChIKey
VKMBNLPFGSEIQJ-UHFFFAOYSA-N
Compound name
4-[(6-amino-3-pyridinyl)oxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

211.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 148.4
[M+Na]+ 234.063768 158.7
[M-H]- 210.067274 152.1
[M+NH4]+ 229.108373 163.2
[M+K]+ 250.037708 153.8
[M+H-H2O]+ 194.071810 133.8
[M+HCOO]- 256.072751 168.6
[M+CH3COO]- 270.088401 159.5
[M+Na-2H]- 232.049216 154.4
[M]+ 211.07400142 142.3
[M]- 211.07509858 142.3
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

patents stripe