CID 14418045

126325-47-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

419
Patents

185.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 128.4
[M+Na]+ 208.968478 141.1
[M-H]- 184.971984 133.6
[M+NH4]+ 204.013083 150.4
[M+K]+ 224.942418 130.0
[M+H-H2O]+ 168.976520 128.1
[M+HCOO]- 230.977461 150.4
[M+CH3COO]- 244.993111 181.9
[M+Na-2H]- 206.953926 137.1
[M]+ 185.97871142 145.4
[M]- 185.97980858 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