CID 610514

18631-33-9

Structural Information

Molecular Formula
C13H11N3
SMILES
CC1=CC(=C(C(=N1)N)C#N)C2=CC=CC=C2
InChI
InChI=1S/C13H11N3/c1-9-7-11(10-5-3-2-4-6-10)12(8-14)13(15)16-9/h2-7H,1H3,(H2,15,16)
InChIKey
BMDZIMCUFNDKQQ-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4-phenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5
Patents

209.09529 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10257 150.3
[M+Na]+ 232.08451 164.5
[M+NH4]+ 227.12911 155.6
[M+K]+ 248.05845 153.8
[M-H]- 208.08801 147.8
[M+Na-2H]- 230.06996 156.8
[M]+ 209.09474 150.9
[M]- 209.09584 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe