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]+ 182.047956 137.0
[M+Na]+ 204.029898 149.7
[M-H]- 180.033404 139.3
[M+NH4]+ 199.074503 154.8
[M+K]+ 220.003838 145.5
[M+H-H2O]+ 164.037940 125.4
[M+HCOO]- 226.038881 153.0
[M+CH3COO]- 240.054531 196.6
[M+Na-2H]- 202.015346 141.2
[M]+ 181.04013142 133.3
[M]- 181.04122858 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.