CID 2049307

104829-98-3

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC1=CC(=NC(=C1N)Br)C
InChI
InChI=1S/C7H9BrN2/c1-4-3-5(2)10-7(8)6(4)9/h3H,9H2,1-2H3
InChIKey
YHCPMPRWVKYCQS-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dimethylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

199.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 132.7
[M+Na]+ 222.98412 145.9
[M-H]- 198.98762 138.1
[M+NH4]+ 218.02872 154.4
[M+K]+ 238.95806 134.5
[M+H-H2O]+ 182.99216 132.3
[M+HCOO]- 244.99310 154.4
[M+CH3COO]- 259.00875 185.8
[M+Na-2H]- 220.96957 140.1
[M]+ 199.99435 150.3
[M]- 199.99545 150.3
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