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-aminopyridin-3-yl)oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 148.4
[M+Na]+ 234.06377 158.7
[M-H]- 210.06727 152.1
[M+NH4]+ 229.10837 163.2
[M+K]+ 250.03771 153.8
[M+H-H2O]+ 194.07181 133.8
[M+HCOO]- 256.07275 168.6
[M+CH3COO]- 270.08840 159.5
[M+Na-2H]- 232.04922 154.4
[M]+ 211.07400 142.3
[M]- 211.07510 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