CID 66826369

485828-81-7

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1CC(C1)(C#N)C2=NC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2/c11-8-2-3-9(13-6-8)10(7-12)4-1-5-10/h2-3,6H,1,4-5H2
InChIKey
LXWAHEQTYXIWOL-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

235.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 143.4
[M+Na]+ 258.98412 144.6
[M+NH4]+ 254.02872 144.2
[M+K]+ 274.95806 140.9
[M-H]- 234.98762 137.2
[M+Na-2H]- 256.96957 145.5
[M]+ 235.99435 139.4
[M]- 235.99545 139.4
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