CID 11600763

3-(hydroxyimino)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC=C2C(=C1)NC(=O)C(=N2)NO
InChI
InChI=1S/C8H7N3O2/c12-8-7(11-13)9-5-3-1-2-4-6(5)10-8/h1-4,13H,(H,9,11)(H,10,12)
InChIKey
PQOJIECBMCIOPW-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 132.9
[M+Na]+ 200.04305 142.6
[M-H]- 176.04655 132.8
[M+NH4]+ 195.08765 149.9
[M+K]+ 216.01699 138.3
[M+H-H2O]+ 160.05109 126.0
[M+HCOO]- 222.05203 153.7
[M+CH3COO]- 236.06768 176.7
[M+Na-2H]- 198.02850 143.1
[M]+ 177.05328 130.8
[M]- 177.05438 130.8
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