CID 1239827

157915-10-1

Structural Information

Molecular Formula
C10H6N2O4
SMILES
C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H6N2O4/c13-10(14)6-4-5-11-7-2-1-3-8(9(6)7)12(15)16/h1-5H,(H,13,14)
InChIKey
IUPRIJZNXWHBKH-UHFFFAOYSA-N
Compound name
5-nitroquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

218.03276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04004 140.3
[M+Na]+ 241.02198 148.3
[M-H]- 217.02548 142.7
[M+NH4]+ 236.06658 156.7
[M+K]+ 256.99592 141.6
[M+H-H2O]+ 201.03002 138.1
[M+HCOO]- 263.03096 162.3
[M+CH3COO]- 277.04661 179.3
[M+Na-2H]- 239.00743 149.7
[M]+ 218.03221 139.0
[M]- 218.03331 139.0
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