CID 135964600

5-hydroxy-2-methyl-8-nitro-quinoline-6-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O5
SMILES
CC1=NC2=C(C=C(C(=C2C=C1)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O5/c1-5-2-3-6-9(12-5)8(13(17)18)4-7(10(6)14)11(15)16/h2-4,14H,1H3,(H,15,16)
InChIKey
REWKNFQFYJBLIO-UHFFFAOYSA-N
Compound name
5-hydroxy-2-methyl-8-nitroquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 147.6
[M+Na]+ 271.03254 156.3
[M-H]- 247.03604 149.2
[M+NH4]+ 266.07714 162.6
[M+K]+ 287.00648 149.3
[M+H-H2O]+ 231.04058 145.7
[M+HCOO]- 293.04152 167.8
[M+CH3COO]- 307.05717 184.4
[M+Na-2H]- 269.01799 154.9
[M]+ 248.04277 147.0
[M]- 248.04387 147.0
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.