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-methyl-2-pyridinyl)oxy]benzonitrile
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]+ 226.097486 152.7
[M+Na]+ 248.079428 163.4
[M-H]- 224.082934 156.6
[M+NH4]+ 243.124033 167.2
[M+K]+ 264.053368 158.4
[M+H-H2O]+ 208.087470 138.1
[M+HCOO]- 270.088411 172.6
[M+CH3COO]- 284.104061 203.6
[M+Na-2H]- 246.064876 157.5
[M]+ 225.08966142 147.2
[M]- 225.09075858 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.