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 136.7
[M+Na]+ 196.04813 146.7
[M-H]- 172.05163 135.1
[M+NH4]+ 191.09273 152.0
[M+K]+ 212.02207 140.7
[M+H-H2O]+ 156.05617 123.4
[M+HCOO]- 218.05711 149.9
[M+CH3COO]- 232.07276 146.8
[M+Na-2H]- 194.03358 143.1
[M]+ 173.05836 126.6
[M]- 173.05946 126.6
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