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]+ 182.047956 137.4
[M+Na]+ 204.029898 148.5
[M-H]- 180.033404 137.8
[M+NH4]+ 199.074503 153.7
[M+K]+ 220.003838 144.8
[M+H-H2O]+ 164.037940 124.3
[M+HCOO]- 226.038881 150.2
[M+CH3COO]- 240.054531 192.6
[M+Na-2H]- 202.015346 144.7
[M]+ 181.04013142 134.0
[M]- 181.04122858 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.