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

53
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 139.2
[M+Na]+ 246.98412 152.7
[M-H]- 222.98762 142.6
[M+NH4]+ 242.02872 157.8
[M+K]+ 262.95806 141.6
[M+H-H2O]+ 206.99216 132.3
[M+HCOO]- 268.99310 157.4
[M+CH3COO]- 283.00875 198.3
[M+Na-2H]- 244.96957 147.5
[M]+ 223.99435 151.2
[M]- 223.99545 151.2
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