CID 13535385

106551-76-2

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1CC2=C(C=C(C(=O)N2)C(=O)O)C(=O)C1
InChI
InChI=1S/C10H9NO4/c12-8-3-1-2-7-5(8)4-6(10(14)15)9(13)11-7/h4H,1-3H2,(H,11,13)(H,14,15)
InChIKey
PTCQJJXCYVJSNQ-UHFFFAOYSA-N
Compound name
2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

207.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 139.5
[M+Na]+ 230.04238 148.1
[M-H]- 206.04588 140.3
[M+NH4]+ 225.08698 156.8
[M+K]+ 246.01632 144.6
[M+H-H2O]+ 190.05042 133.6
[M+HCOO]- 252.05136 156.7
[M+CH3COO]- 266.06701 180.5
[M+Na-2H]- 228.02783 144.4
[M]+ 207.05261 136.7
[M]- 207.05371 136.7
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

patents stripe