CID 84699853

1-(7-bromoisoquinolin-3-yl)methanaminedihydrochloride

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC(=CC2=CN=C(C=C21)CN)Br
InChI
InChI=1S/C10H9BrN2/c11-9-2-1-7-4-10(5-12)13-6-8(7)3-9/h1-4,6H,5,12H2
InChIKey
CFBUDWWBRYBMBF-UHFFFAOYSA-N
Compound name
(7-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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.