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-methyl-2-pyridinyl)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]+ 210.986536 130.1
[M+Na]+ 232.968478 144.5
[M-H]- 208.971984 133.7
[M+NH4]+ 228.013083 149.4
[M+K]+ 248.942418 133.2
[M+H-H2O]+ 192.976520 123.2
[M+HCOO]- 254.977461 150.0
[M+CH3COO]- 268.993111 196.4
[M+Na-2H]- 230.953926 138.3
[M]+ 209.97871142 142.6
[M]- 209.97980858 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.