CID 54594249

6-chloro-1,2,3,4-tetrahydroquinolin-4-amine

Structural Information

Molecular Formula
C9H11ClN2
SMILES
C1CNC2=C(C1N)C=C(C=C2)Cl
InChI
InChI=1S/C9H11ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4,11H2
InChIKey
OXOPPJOJMLUEHH-UHFFFAOYSA-N
Compound name
6-chloro-1,2,3,4-tetrahydroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.068356 136.7
[M+Na]+ 205.050298 145.0
[M-H]- 181.053804 137.6
[M+NH4]+ 200.094903 156.2
[M+K]+ 221.024238 139.3
[M+H-H2O]+ 165.058340 131.3
[M+HCOO]- 227.059281 151.2
[M+CH3COO]- 241.074931 148.8
[M+Na-2H]- 203.035746 143.1
[M]+ 182.06053142 132.2
[M]- 182.06162858 132.2
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.