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

211
Patents

221.97926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.986536 137.5
[M+Na]+ 244.968478 150.2
[M-H]- 220.971984 143.4
[M+NH4]+ 240.013083 159.0
[M+K]+ 260.942418 138.2
[M+H-H2O]+ 204.976520 137.1
[M+HCOO]- 266.977461 158.6
[M+CH3COO]- 280.993111 152.8
[M+Na-2H]- 242.953926 147.7
[M]+ 221.97871142 154.5
[M]- 221.97980858 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