CID 21964096

5-bromo-2-methylpyridin-3-amine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CC1=C(C=C(C=N1)Br)N
InChI
InChI=1S/C6H7BrN2/c1-4-6(8)2-5(7)3-9-4/h2-3H,8H2,1H3
InChIKey
CBAXYISWNGGXOZ-UHFFFAOYSA-N
Compound name
5-bromo-2-methylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

185.97926 Da
Monoisotopic Mass

1.3
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