CID 817178

6-bromo-n-methylpyridin-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
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

No literature data available for this compound.

Patent stripe

patents stripe