CID 11586622

2-(5-bromopyridin-2-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CC(C)(C#N)C1=NC=C(C=C1)Br
InChI
InChI=1S/C9H9BrN2/c1-9(2,6-11)8-4-3-7(10)5-12-8/h3-5H,1-2H3
InChIKey
LCFRTRIRICENNR-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

223.9949 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 142.4
[M+Na]+ 246.98412 146.6
[M+NH4]+ 242.02872 144.6
[M+K]+ 262.95806 143.3
[M-H]- 222.98762 136.4
[M+Na-2H]- 244.96957 144.5
[M]+ 223.99435 139.7
[M]- 223.99545 139.7
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