CID 129973931

1-(4-bromoisoquinolin-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1=CC=C2C(=C1)C(=CN=C2CN)Br
InChI
InChI=1S/C10H9BrN2/c11-9-6-13-10(5-12)8-4-2-1-3-7(8)9/h1-4,6H,5,12H2
InChIKey
FYQGTYFHOVYEGE-UHFFFAOYSA-N
Compound name
(4-bromoisoquinolin-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.9949 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.002176 142.2
[M+Na]+ 258.984118 154.4
[M-H]- 234.987624 147.8
[M+NH4]+ 254.028723 163.1
[M+K]+ 274.958058 142.2
[M+H-H2O]+ 218.992160 141.5
[M+HCOO]- 280.993101 162.9
[M+CH3COO]- 295.008751 157.0
[M+Na-2H]- 256.969566 151.8
[M]+ 235.99435142 159.5
[M]- 235.99544858 159.5
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