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

1
Patents

248.04332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.050596 147.6
[M+Na]+ 271.032538 156.3
[M-H]- 247.036044 149.2
[M+NH4]+ 266.077143 162.6
[M+K]+ 287.006478 149.3
[M+H-H2O]+ 231.040580 145.7
[M+HCOO]- 293.041521 167.8
[M+CH3COO]- 307.057171 184.4
[M+Na-2H]- 269.017986 154.9
[M]+ 248.04277142 147.0
[M]- 248.04386858 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

patents stripe