CID 61373027

1247382-28-0

Structural Information

Molecular Formula
C9H13BrN2
SMILES
CC(C)N(C)C1=NC=C(C=C1)Br
InChI
InChI=1S/C9H13BrN2/c1-7(2)12(3)9-5-4-8(10)6-11-9/h4-7H,1-3H3
InChIKey
GSAXHILKQMXJCM-UHFFFAOYSA-N
Compound name
5-bromo-N-methyl-N-propan-2-ylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.02621 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03349 141.9
[M+Na]+ 251.01543 152.4
[M-H]- 227.01893 148.2
[M+NH4]+ 246.06003 162.8
[M+K]+ 266.98937 142.8
[M+H-H2O]+ 211.02347 140.7
[M+HCOO]- 273.02441 163.2
[M+CH3COO]- 287.04006 194.1
[M+Na-2H]- 249.00088 148.8
[M]+ 228.02566 161.1
[M]- 228.02676 161.1
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