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

96
Patents

148.10005 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 129.7
[M+Na]+ 171.089268 136.3
[M-H]- 147.092774 130.7
[M+NH4]+ 166.133873 149.5
[M+K]+ 187.063208 132.5
[M+H-H2O]+ 131.097310 123.5
[M+HCOO]- 193.098251 149.0
[M+CH3COO]- 207.113901 142.0
[M+Na-2H]- 169.074716 137.5
[M]+ 148.09950142 122.9
[M]- 148.10059858 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