CID 12015688

1,2,3,4-tetrahydro-isoquinolin-4-ylamine dihydrochloride

Structural Information

Molecular Formula
C9H12N2
SMILES
C1C(C2=CC=CC=C2CN1)N
InChI
InChI=1S/C9H12N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-4,9,11H,5-6,10H2
InChIKey
NMDRYJXTOWQUBS-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

148.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 129.7
[M+Na]+ 171.08927 136.3
[M-H]- 147.09277 130.7
[M+NH4]+ 166.13387 149.5
[M+K]+ 187.06321 132.5
[M+H-H2O]+ 131.09731 123.5
[M+HCOO]- 193.09825 149.0
[M+CH3COO]- 207.11390 142.0
[M+Na-2H]- 169.07472 137.5
[M]+ 148.09950 122.9
[M]- 148.10060 122.9
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