CID 247446

6972-36-7

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=C(C(=NC(=C1N)C)Cl)C#N
InChI
InChI=1S/C8H8ClN3/c1-4-6(3-10)8(9)12-5(2)7(4)11/h11H2,1-2H3
InChIKey
RPRGFOOFJMWOOI-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-4,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 137.0
[M+Na]+ 204.02990 149.7
[M-H]- 180.03340 139.3
[M+NH4]+ 199.07450 154.8
[M+K]+ 220.00384 145.5
[M+H-H2O]+ 164.03794 125.4
[M+HCOO]- 226.03888 153.0
[M+CH3COO]- 240.05453 196.6
[M+Na-2H]- 202.01535 141.2
[M]+ 181.04013 133.3
[M]- 181.04123 133.3
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

No patent data available for this compound.