CID 165916302

1-(8-bromoisoquinolin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC2=CC(=NC=C2C(=C1)Br)CN
InChI
InChI=1S/C10H9BrN2/c11-10-3-1-2-7-4-8(5-12)13-6-9(7)10/h1-4,6H,5,12H2
InChIKey
QULOROCBDHHMFK-UHFFFAOYSA-N
Compound name
(8-bromoisoquinolin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 142.2
[M+Na]+ 258.98412 154.4
[M-H]- 234.98762 147.8
[M+NH4]+ 254.02872 163.1
[M+K]+ 274.95806 142.2
[M+H-H2O]+ 218.99216 141.5
[M+HCOO]- 280.99310 162.9
[M+CH3COO]- 295.00875 157.0
[M+Na-2H]- 256.96957 151.8
[M]+ 235.99435 159.5
[M]- 235.99545 159.5
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.