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

literature stripe

Patent stripe

patents stripe