CID 137014690

5-nitroisoquinolin-6-ol

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC(=C(C2=C1C=NC=C2)[N+](=O)[O-])O
InChI
InChI=1S/C9H6N2O3/c12-8-2-1-6-5-10-4-3-7(6)9(8)11(13)14/h1-5,12H
InChIKey
ZQVUOVYLTRVHDQ-UHFFFAOYSA-N
Compound name
5-nitroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.03784 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 133.8
[M+Na]+ 213.02706 142.5
[M-H]- 189.03056 136.4
[M+NH4]+ 208.07166 151.8
[M+K]+ 229.00100 135.6
[M+H-H2O]+ 173.03510 131.9
[M+HCOO]- 235.03604 156.9
[M+CH3COO]- 249.05169 174.3
[M+Na-2H]- 211.01251 144.8
[M]+ 190.03729 132.2
[M]- 190.03839 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