CID 15283232

38543-75-8

Structural Information

Molecular Formula
C10H7N3O5
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H7N3O5/c1-5-2-3-6-7(12(15)16)4-8(13(17)18)10(14)9(6)11-5/h2-4,14H,1H3
InChIKey
ADHKESAPGWSTIF-UHFFFAOYSA-N
Compound name
2-methyl-5,7-dinitroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

249.03857 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04585 148.7
[M+Na]+ 272.02779 156.4
[M-H]- 248.03129 151.6
[M+NH4]+ 267.07239 163.0
[M+K]+ 288.00173 145.7
[M+H-H2O]+ 232.03583 150.7
[M+HCOO]- 294.03677 171.4
[M+CH3COO]- 308.05242 182.4
[M+Na-2H]- 270.01324 159.1
[M]+ 249.03802 146.5
[M]- 249.03912 146.5
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

No patent data available for this compound.