CID 29551250

443339-43-3

Structural Information

Molecular Formula
C8H11BrN2
SMILES
CC(C)NC1=NC=C(C=C1)Br
InChI
InChI=1S/C8H11BrN2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3,(H,10,11)
InChIKey
UMZUXTPLNJIIJU-UHFFFAOYSA-N
Compound name
5-bromo-N-propan-2-ylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

214.01056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.017836 137.7
[M+Na]+ 236.999778 148.4
[M-H]- 213.003284 142.8
[M+NH4]+ 232.044383 158.5
[M+K]+ 252.973718 137.7
[M+H-H2O]+ 197.007820 136.9
[M+HCOO]- 259.008761 158.8
[M+CH3COO]- 273.024411 187.9
[M+Na-2H]- 234.985226 145.8
[M]+ 214.01001142 155.4
[M]- 214.01110858 155.4
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