CID 289846

1-bromo-4-methylisoquinolin-3-amine

Structural Information

Molecular Formula
C10H9BrN2
SMILES
CC1=C(N=C(C2=CC=CC=C12)Br)N
InChI
InChI=1S/C10H9BrN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChIKey
YCVJUPIKBPADHA-UHFFFAOYSA-N
Compound name
1-bromo-4-methylisoquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

235.9949 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 142.3
[M+Na]+ 258.98412 155.3
[M-H]- 234.98762 148.3
[M+NH4]+ 254.02872 163.5
[M+K]+ 274.95806 143.2
[M+H-H2O]+ 218.99216 141.7
[M+HCOO]- 280.99310 163.0
[M+CH3COO]- 295.00875 157.5
[M+Na-2H]- 256.96957 151.2
[M]+ 235.99435 159.9
[M]- 235.99545 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe