CID 59612899

2-(5-bromopyridin-3-yl)-2-methylpropanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

223.9949 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.002176 139.2
[M+Na]+ 246.984118 152.7
[M-H]- 222.987624 142.6
[M+NH4]+ 242.028723 157.8
[M+K]+ 262.958058 141.6
[M+H-H2O]+ 206.992160 132.3
[M+HCOO]- 268.993101 157.4
[M+CH3COO]- 283.008751 198.3
[M+Na-2H]- 244.969566 147.5
[M]+ 223.99435142 151.2
[M]- 223.99544858 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