CID 59507580

944401-83-6

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=NC=C(C=C2C=C1O)[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-8-1-2-9-6(4-8)3-7(5-10-9)11(13)14/h1-5,12H
InChIKey
CWBIJDQUYFAUKV-UHFFFAOYSA-N
Compound name
3-nitroquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

190.03784 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.045116 133.8
[M+Na]+ 213.027058 142.5
[M-H]- 189.030564 136.4
[M+NH4]+ 208.071663 151.8
[M+K]+ 229.000998 135.6
[M+H-H2O]+ 173.035100 131.9
[M+HCOO]- 235.036041 156.9
[M+CH3COO]- 249.051691 174.3
[M+Na-2H]- 211.012506 144.8
[M]+ 190.03729142 132.2
[M]- 190.03838858 132.2
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