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: 22
Patents: 207.05316 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.060436	139.5
[M+Na]+	230.042378	148.1
[M-H]-	206.045884	140.3
[M+NH4]+	225.086983	156.8
[M+K]+	246.016318	144.6
[M+H-H2O]+	190.050420	133.6
[M+HCOO]-	252.051361	156.7
[M+CH3COO]-	266.067011	180.5
[M+Na-2H]-	228.027826	144.4
[M]+	207.05261142	136.7
[M]-	207.05370858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe