CID 135429834

Nsc97341

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)N=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-9(13)7(8)11-14/h1-4H,(H2,10,12,13)
InChIKey
QOWGKOOAVPYSPT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitroso-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

190.03784 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 133.7
[M+Na]+ 213.02706 144.5
[M-H]- 189.03056 136.8
[M+NH4]+ 208.07166 152.5
[M+K]+ 229.00100 141.2
[M+H-H2O]+ 173.03510 127.3
[M+HCOO]- 235.03604 157.5
[M+CH3COO]- 249.05169 181.9
[M+Na-2H]- 211.01251 143.2
[M]+ 190.03729 134.5
[M]- 190.03839 134.5
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