CID 60709959

118249-55-1

Structural Information

Molecular Formula
C11H8N2O5
SMILES
C1=CC2=C(C=CC(=C2N=C1)OCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O5/c14-10(15)6-18-9-4-3-8(13(16)17)7-2-1-5-12-11(7)9/h1-5H,6H2,(H,14,15)
InChIKey
QYEJMQBTJAWJIM-UHFFFAOYSA-N
Compound name
2-(5-nitroquinolin-8-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05060 148.0
[M+Na]+ 271.03254 155.2
[M-H]- 247.03604 150.2
[M+NH4]+ 266.07714 163.0
[M+K]+ 287.00648 149.0
[M+H-H2O]+ 231.04058 145.3
[M+HCOO]- 293.04152 169.8
[M+CH3COO]- 307.05717 184.5
[M+Na-2H]- 269.01799 157.0
[M]+ 248.04277 148.4
[M]- 248.04387 148.4
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.