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

1
Patents

228.02621 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.033486 141.9
[M+Na]+ 251.015428 152.4
[M-H]- 227.018934 148.2
[M+NH4]+ 246.060033 162.8
[M+K]+ 266.989368 142.8
[M+H-H2O]+ 211.023470 140.7
[M+HCOO]- 273.024411 163.2
[M+CH3COO]- 287.040061 194.1
[M+Na-2H]- 249.000876 148.8
[M]+ 228.02566142 161.1
[M]- 228.02675858 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