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-bromo-2-pyridinyl)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]+ 210.986536 132.1
[M+Na]+ 232.968478 145.4
[M-H]- 208.971984 135.4
[M+NH4]+ 228.013083 151.1
[M+K]+ 248.942418 134.5
[M+H-H2O]+ 192.976520 124.9
[M+HCOO]- 254.977461 151.1
[M+CH3COO]- 268.993111 196.2
[M+Na-2H]- 230.953926 139.7
[M]+ 209.97871142 143.7
[M]- 209.97980858 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.