CID 22607616

1-amino-6-bromoisoquinoline

Structural Information

Molecular Formula
C9H7BrN2
SMILES
C1=CC2=C(C=CN=C2N)C=C1Br
InChI
InChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)
InChIKey
PZNNAAGLKCNZKE-UHFFFAOYSA-N
Compound name
6-bromoisoquinolin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

221.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98654 137.5
[M+Na]+ 244.96848 150.2
[M-H]- 220.97198 143.4
[M+NH4]+ 240.01308 159.0
[M+K]+ 260.94242 138.2
[M+H-H2O]+ 204.97652 137.1
[M+HCOO]- 266.97746 158.6
[M+CH3COO]- 280.99311 152.8
[M+Na-2H]- 242.95393 147.7
[M]+ 221.97871 154.5
[M]- 221.97981 154.5
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

patents stripe