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]+ 227.01784 133.8
[M+Na]+ 248.99978 143.6
[M-H]- 225.00328 141.1
[M+NH4]+ 244.04438 148.0
[M+K]+ 264.97372 135.5
[M+H-H2O]+ 209.00782 127.8
[M+HCOO]- 271.00876 153.5
[M+CH3COO]- 285.02441 191.7
[M+Na-2H]- 246.98523 141.1
[M]+ 226.01001 156.8
[M]- 226.01111 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.