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

8
Patents

173.05891 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 136.7
[M+Na]+ 196.048128 146.7
[M-H]- 172.051634 135.1
[M+NH4]+ 191.092733 152.0
[M+K]+ 212.022068 140.7
[M+H-H2O]+ 156.056170 123.4
[M+HCOO]- 218.057111 149.9
[M+CH3COO]- 232.072761 146.8
[M+Na-2H]- 194.033576 143.1
[M]+ 173.05836142 126.6
[M]- 173.05945858 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