CID 12643706

2-chloro-5-methylpyridin-4-amine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=CN=C(C=C1N)Cl
InChI
InChI=1S/C6H7ClN2/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3,(H2,8,9)
InChIKey
CJGKOPNIXJWHKF-UHFFFAOYSA-N
Compound name
2-chloro-5-methylpyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

142.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03705 125.0
[M+Na]+ 165.01899 135.5
[M-H]- 141.02249 127.4
[M+NH4]+ 160.06359 146.1
[M+K]+ 180.99293 131.9
[M+H-H2O]+ 125.02703 120.0
[M+HCOO]- 187.02797 145.0
[M+CH3COO]- 201.04362 175.1
[M+Na-2H]- 163.00444 132.2
[M]+ 142.02922 125.2
[M]- 142.03032 125.2
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