CID 18696589

6-bromo-n,n-diethylpyridin-2-amine

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CCN(CC)C1=NC(=CC=C1)Br
InChI
InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-5-6-8(10)11-9/h5-7H,3-4H2,1-2H3
InChIKey
BACITTGULZNNGC-UHFFFAOYSA-N
Compound name
6-bromo-N,N-diethylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

228.02621 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 141.4
[M+Na]+ 251.01543 152.2
[M-H]- 227.01893 147.6
[M+NH4]+ 246.06003 162.4
[M+K]+ 266.98937 142.1
[M+H-H2O]+ 211.02347 140.2
[M+HCOO]- 273.02441 163.6
[M+CH3COO]- 287.04006 193.3
[M+Na-2H]- 249.00088 149.5
[M]+ 228.02566 161.2
[M]- 228.02676 161.2
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