CID 5360001

4-(hydroxyamino)quinoline n-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-CSKARUKUSA-N

Compound name

(NE)-N-(1-hydroxyquinolin-4-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 115
References: 35
Patents: 176.05858 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	177.06586	133.2
[M+Na]+	199.04780	147.1
[M+NH4]+	194.09240	141.7
[M+K]+	215.02174	140.7
[M-H]-	175.05130	135.6
[M+Na-2H]-	197.03325	140.8
[M]+	176.05803	135.8
[M]-	176.05913	135.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.