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
2
Annotation Hits

114
References

45
Patents

176.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.065856 132.1
[M+Na]+ 199.047798 141.9
[M-H]- 175.051304 134.8
[M+NH4]+ 194.092403 151.4
[M+K]+ 215.021738 138.5
[M+H-H2O]+ 159.055840 125.6
[M+HCOO]- 221.056781 155.5
[M+CH3COO]- 235.072431 178.6
[M+Na-2H]- 197.033246 142.2
[M]+ 176.05803142 131.7
[M]- 176.05912858 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

literature stripe

Patent stripe

patents stripe