CID 13797167

51561-20-7

Structural Information

Molecular Formula
C7H6ClN3
SMILES
CC1=CC(=NC(=C1C#N)Cl)N
InChI
InChI=1S/C7H6ClN3/c1-4-2-6(10)11-7(8)5(4)3-9/h2H,1H3,(H2,10,11)
InChIKey
ODMRBRUDPUNEHF-UHFFFAOYSA-N
Compound name
6-amino-2-chloro-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

167.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.032296 133.1
[M+Na]+ 190.014238 145.5
[M-H]- 166.017744 135.1
[M+NH4]+ 185.058843 151.2
[M+K]+ 205.988178 141.3
[M+H-H2O]+ 150.022280 121.4
[M+HCOO]- 212.023221 149.4
[M+CH3COO]- 226.038871 192.9
[M+Na-2H]- 187.999686 138.4
[M]+ 167.02447142 128.7
[M]- 167.02556858 128.7
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

patents stripe