CID 28419052

1-benzyl-1,2,3,4-tetrahydroquinolin-6-amine dihydrochloride

Structural Information

Molecular Formula
C16H18N2
SMILES
C1CC2=C(C=CC(=C2)N)N(C1)CC3=CC=CC=C3
InChI
InChI=1S/C16H18N2/c17-15-8-9-16-14(11-15)7-4-10-18(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,17H2
InChIKey
GSZJPCZHEBIRBW-UHFFFAOYSA-N
Compound name
1-benzyl-3,4-dihydro-2H-quinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

238.147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 154.8
[M+Na]+ 261.13622 161.0
[M-H]- 237.13972 159.8
[M+NH4]+ 256.18082 171.3
[M+K]+ 277.11016 155.5
[M+H-H2O]+ 221.14426 146.0
[M+HCOO]- 283.14520 174.5
[M+CH3COO]- 297.16085 165.9
[M+Na-2H]- 259.12167 161.0
[M]+ 238.14645 150.0
[M]- 238.14755 150.0
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