CID 23273535

Quinoxaline-6-carbonitrile

Structural Information

Molecular Formula
C9H5N3
SMILES
C1=CC2=NC=CN=C2C=C1C#N
InChI
InChI=1S/C9H5N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H
InChIKey
IFIJAECRUMYOAH-UHFFFAOYSA-N
Compound name
quinoxaline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

155.04834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05562 130.2
[M+Na]+ 178.03756 141.8
[M-H]- 154.04106 131.1
[M+NH4]+ 173.08216 147.4
[M+K]+ 194.01150 136.9
[M+H-H2O]+ 138.04560 116.1
[M+HCOO]- 200.04654 148.3
[M+CH3COO]- 214.06219 142.3
[M+Na-2H]- 176.02301 140.1
[M]+ 155.04779 124.9
[M]- 155.04889 124.9
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