CID 519380

2-amino-3-bromo-5-methylpyridine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CC1=CC(=C(N=C1)N)Br
InChI
InChI=1S/C6H7BrN2/c1-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
InChIKey
NDPKXEWDWTZBDG-UHFFFAOYSA-N
Compound name
3-bromo-5-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

547
Patents

185.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 128.4
[M+Na]+ 208.96848 141.1
[M-H]- 184.97198 133.6
[M+NH4]+ 204.01308 150.4
[M+K]+ 224.94242 130.0
[M+H-H2O]+ 168.97652 128.1
[M+HCOO]- 230.97746 150.4
[M+CH3COO]- 244.99311 181.9
[M+Na-2H]- 206.95393 137.1
[M]+ 185.97871 145.4
[M]- 185.97981 145.4
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