CID 119056910

3-bromo-5-cyclobutylpyridin-2-amine

Structural Information

Molecular Formula
C9H11BrN2
SMILES
C1CC(C1)C2=CC(=C(N=C2)N)Br
InChI
InChI=1S/C9H11BrN2/c10-8-4-7(5-12-9(8)11)6-2-1-3-6/h4-6H,1-3H2,(H2,11,12)
InChIKey
OKCDSBJYSZLAKJ-UHFFFAOYSA-N
Compound name
3-bromo-5-cyclobutylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01056 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 133.8
[M+Na]+ 248.999778 143.6
[M-H]- 225.003284 141.1
[M+NH4]+ 244.044383 148.0
[M+K]+ 264.973718 135.5
[M+H-H2O]+ 209.007820 127.8
[M+HCOO]- 271.008761 153.5
[M+CH3COO]- 285.024411 191.7
[M+Na-2H]- 246.985226 141.1
[M]+ 226.01001142 156.8
[M]- 226.01110858 156.8
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

No patent data available for this compound.