CID 18545771

221290-03-5

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1C(=O)NC2=C(N1)C=C(C=C2)C#N
InChI
InChI=1S/C9H7N3O/c10-4-6-1-2-7-8(3-6)11-5-9(13)12-7/h1-3,11H,5H2,(H,12,13)
InChIKey
VCQBDEDRWMCMMN-UHFFFAOYSA-N
Compound name
2-oxo-3,4-dihydro-1H-quinoxaline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

173.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 141.4
[M+Na]+ 196.04813 153.2
[M+NH4]+ 191.09273 145.6
[M+K]+ 212.02207 144.0
[M-H]- 172.05163 134.6
[M+Na-2H]- 194.03358 143.6
[M]+ 173.05836 140.1
[M]- 173.05946 140.1
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

patents stripe