CID 79176261

2-[(5-amino-4-methylpyridin-2-yl)oxy]benzonitrile

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=CC(=NC=C1N)OC2=CC=CC=C2C#N
InChI
InChI=1S/C13H11N3O/c1-9-6-13(16-8-11(9)15)17-12-5-3-2-4-10(12)7-14/h2-6,8H,15H2,1H3
InChIKey
TWYPQWJLBNRMIO-UHFFFAOYSA-N
Compound name
2-(5-amino-4-methylpyridin-2-yl)oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 152.7
[M+Na]+ 248.07943 163.4
[M-H]- 224.08293 156.6
[M+NH4]+ 243.12403 167.2
[M+K]+ 264.05337 158.4
[M+H-H2O]+ 208.08747 138.1
[M+HCOO]- 270.08841 172.6
[M+CH3COO]- 284.10406 203.6
[M+Na-2H]- 246.06488 157.5
[M]+ 225.08966 147.2
[M]- 225.09076 147.2
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.