CID 102594452

4-bromo-5,6,7,8-tetrahydro-isoquinolin-1-ylamine

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1CCC2=C(C1)C(=CN=C2N)Br
InChI
InChI=1S/C9H11BrN2/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h5H,1-4H2,(H2,11,12)
InChIKey
QZTPSDMYQGRZGI-UHFFFAOYSA-N
Compound name
4-bromo-5,6,7,8-tetrahydroisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 141.3
[M+Na]+ 248.999778 152.1
[M-H]- 225.003284 146.5
[M+NH4]+ 244.044383 162.5
[M+K]+ 264.973718 140.4
[M+H-H2O]+ 209.007820 140.8
[M+HCOO]- 271.008761 159.6
[M+CH3COO]- 285.024411 155.5
[M+Na-2H]- 246.985226 149.5
[M]+ 226.01001142 155.6
[M]- 226.01110858 155.6
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.