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]+ 249.050596 148.0
[M+Na]+ 271.032538 155.2
[M-H]- 247.036044 150.2
[M+NH4]+ 266.077143 163.0
[M+K]+ 287.006478 149.0
[M+H-H2O]+ 231.040580 145.3
[M+HCOO]- 293.041521 169.8
[M+CH3COO]- 307.057171 184.5
[M+Na-2H]- 269.017986 157.0
[M]+ 248.04277142 148.4
[M]- 248.04386858 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

literature stripe

Patent stripe

No patent data available for this compound.