CID 57417094

1-(4-bromopyridin-2-yl)cyclobutanecarbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 128.8
[M+Na]+ 258.98412 141.2
[M-H]- 234.98762 134.7
[M+NH4]+ 254.02872 143.2
[M+K]+ 274.95806 133.1
[M+H-H2O]+ 218.99216 118.4
[M+HCOO]- 280.99310 147.1
[M+CH3COO]- 295.00875 201.2
[M+Na-2H]- 256.96957 137.9
[M]+ 235.99435 146.8
[M]- 235.99545 146.8
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

patents stripe