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]+ 227.01784 141.3
[M+Na]+ 248.99978 152.1
[M-H]- 225.00328 146.5
[M+NH4]+ 244.04438 162.5
[M+K]+ 264.97372 140.4
[M+H-H2O]+ 209.00782 140.8
[M+HCOO]- 271.00876 159.6
[M+CH3COO]- 285.02441 155.5
[M+Na-2H]- 246.98523 149.5
[M]+ 226.01001 155.6
[M]- 226.01111 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.