CID 16113076

2-bromo-n-methylpyridin-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.97926 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 127.7
[M+Na]+ 208.96848 139.5
[M-H]- 184.97198 133.0
[M+NH4]+ 204.01308 149.6
[M+K]+ 224.94242 128.9
[M+H-H2O]+ 168.97652 127.2
[M+HCOO]- 230.97746 150.4
[M+CH3COO]- 244.99311 181.5
[M+Na-2H]- 206.95393 138.1
[M]+ 185.97871 145.3
[M]- 185.97981 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