CID 106878822

2-(3-bromo-4-methylpyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CC1=C(C(=NC=C1)CC#N)Br
InChI
InChI=1S/C8H7BrN2/c1-6-3-5-11-7(2-4-10)8(6)9/h3,5H,2H2,1H3
InChIKey
ZAQXXATXPGIYSC-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-methylpyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98654 130.1
[M+Na]+ 232.96848 144.5
[M-H]- 208.97198 133.7
[M+NH4]+ 228.01308 149.4
[M+K]+ 248.94242 133.2
[M+H-H2O]+ 192.97652 123.2
[M+HCOO]- 254.97746 150.0
[M+CH3COO]- 268.99311 196.4
[M+Na-2H]- 230.95393 138.3
[M]+ 209.97871 142.6
[M]- 209.97981 142.6
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.