CID 119094418

2-(3-chloropyrazin-2-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC(C)(C#N)C1=NC=CN=C1Cl
InChI
InChI=1S/C8H8ClN3/c1-8(2,5-10)6-7(9)12-4-3-11-6/h3-4H,1-2H3
InChIKey
NURCZBDHXSIRBK-UHFFFAOYSA-N
Compound name
2-(3-chloropyrazin-2-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 137.4
[M+Na]+ 204.02990 148.5
[M-H]- 180.03340 137.8
[M+NH4]+ 199.07450 153.7
[M+K]+ 220.00384 144.8
[M+H-H2O]+ 164.03794 124.3
[M+HCOO]- 226.03888 150.2
[M+CH3COO]- 240.05453 192.6
[M+Na-2H]- 202.01535 144.7
[M]+ 181.04013 134.0
[M]- 181.04123 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.