CID 593212

Quinoxaline-2-carbonitrile

Structural Information

Molecular Formula
C9H5N3
SMILES
C1=CC=C2C(=C1)N=CC(=N2)C#N
InChI
InChI=1S/C9H5N3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,6H
InChIKey
IVYZWJPQNNZOHV-UHFFFAOYSA-N
Compound name
quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

177
Patents

155.04834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05562 135.7
[M+Na]+ 178.03756 150.3
[M+NH4]+ 173.08216 141.5
[M+K]+ 194.01150 139.6
[M-H]- 154.04106 130.9
[M+Na-2H]- 176.02301 141.4
[M]+ 155.04779 135.7
[M]- 155.04889 135.7
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

patents stripe