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 141.8
[M+Na]+ 258.98412 146.7
[M+NH4]+ 254.02872 147.7
[M+K]+ 274.95806 145.4
[M-H]- 234.98762 143.9
[M+Na-2H]- 256.96957 146.6
[M]+ 235.99435 142.0
[M]- 235.99545 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.