CID 15645663

5-bromo-n-methylpyridin-2-amine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CNC1=NC=C(C=C1)Br
InChI
InChI=1S/C6H7BrN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)
InChIKey
KHPPOPZLVCZUPV-UHFFFAOYSA-N
Compound name
5-bromo-N-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

185.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 127.7
[M+Na]+ 208.968478 139.5
[M-H]- 184.971984 133.0
[M+NH4]+ 204.013083 149.6
[M+K]+ 224.942418 128.9
[M+H-H2O]+ 168.976520 127.2
[M+HCOO]- 230.977461 150.4
[M+CH3COO]- 244.993111 181.5
[M+Na-2H]- 206.953926 138.1
[M]+ 185.97871142 145.3
[M]- 185.97980858 145.3
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