CID 19103

5-nitroso-8-hydroxyquinoline

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)N=O
InChI
InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H
InChIKey
RZWRYPGAUIOOMK-UHFFFAOYSA-N
Compound name
5-nitrosoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

2011
Patents

174.04292 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 130.9
[M+Na]+ 197.03214 141.1
[M-H]- 173.03564 135.0
[M+NH4]+ 192.07674 150.9
[M+K]+ 213.00608 138.6
[M+H-H2O]+ 157.04018 124.2
[M+HCOO]- 219.04112 155.9
[M+CH3COO]- 233.05677 181.7
[M+Na-2H]- 195.01759 141.6
[M]+ 174.04237 132.4
[M]- 174.04347 132.4
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