CID 130908435

7-bromo-5-methylisoquinolin-1-amine

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=CC(=CC2=C1C=CN=C2N)Br
InChI
InChI=1S/C10H9BrN2/c1-6-4-7(11)5-9-8(6)2-3-13-10(9)12/h2-5H,1H3,(H2,12,13)
InChIKey
OIGJRPREQNRAHG-UHFFFAOYSA-N
Compound name
7-bromo-5-methylisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9949 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 141.5
[M+Na]+ 258.98412 146.8
[M+NH4]+ 254.02872 147.5
[M+K]+ 274.95806 145.6
[M-H]- 234.98762 143.6
[M+Na-2H]- 256.96957 146.2
[M]+ 235.99435 141.8
[M]- 235.99545 141.8
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.