CID 68728424

4-chloroquinolin-6-amine

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC2=NC=CC(=C2C=C1N)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H,11H2
InChIKey
JQBYZFZHXAYAJF-UHFFFAOYSA-N
Compound name
4-chloroquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

178.02977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 132.3
[M+Na]+ 201.01899 148.2
[M+NH4]+ 196.06359 142.7
[M+K]+ 216.99293 139.9
[M-H]- 177.02249 136.4
[M+Na-2H]- 199.00444 141.2
[M]+ 178.02922 136.2
[M]- 178.03032 136.2
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

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