CID 5460367

4-quinolinamine, n-hydroxy-, 1-oxide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC=C2C(=C1)/C(=N\O)/C=CN2O
InChI
InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,12-13H/b10-8-
InChIKey
KCGKBOFRVKLKOO-NTMALXAHSA-N
Compound name
(NZ)-N-(1-hydroxyquinolin-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

115
References

29
Patents

176.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 132.1
[M+Na]+ 199.04780 141.9
[M-H]- 175.05130 134.8
[M+NH4]+ 194.09240 151.4
[M+K]+ 215.02174 138.5
[M+H-H2O]+ 159.05584 125.6
[M+HCOO]- 221.05678 155.5
[M+CH3COO]- 235.07243 178.6
[M+Na-2H]- 197.03325 142.2
[M]+ 176.05803 131.7
[M]- 176.05913 131.7
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

No patent data available for this compound.