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

34
Patents

214.01056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01784 137.7
[M+Na]+ 236.99978 148.4
[M-H]- 213.00328 142.8
[M+NH4]+ 232.04438 158.5
[M+K]+ 252.97372 137.7
[M+H-H2O]+ 197.00782 136.9
[M+HCOO]- 259.00876 158.8
[M+CH3COO]- 273.02441 187.9
[M+Na-2H]- 234.98523 145.8
[M]+ 214.01001 155.4
[M]- 214.01111 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