CID 119085763

2-(3-bromopyridin-2-yl)propanenitrile

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC(C#N)C1=C(C=CC=N1)Br
InChI
InChI=1S/C8H7BrN2/c1-6(5-10)8-7(9)3-2-4-11-8/h2-4,6H,1H3
InChIKey
UTJVZFHVAPGXKC-UHFFFAOYSA-N
Compound name
2-(3-bromopyridin-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.97926 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 132.1
[M+Na]+ 232.96848 145.4
[M-H]- 208.97198 135.4
[M+NH4]+ 228.01308 151.1
[M+K]+ 248.94242 134.5
[M+H-H2O]+ 192.97652 124.9
[M+HCOO]- 254.97746 151.1
[M+CH3COO]- 268.99311 196.2
[M+Na-2H]- 230.95393 139.7
[M]+ 209.97871 143.7
[M]- 209.97981 143.7
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

No patent data available for this compound.