CID 605610

62558-67-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)O

InChI

InChI=1S/C10H11NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-4,12H,5-6H2,(H,11,13)(H,14,15)

InChIKey

GTGJPSXOXNMQKV-UHFFFAOYSA-N

Compound name

4-(4-hydroxyanilino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 209.0688 Da
Monoisotopic Mass: 0.2
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]+	210.076076	143.7
[M+Na]+	232.058018	149.7
[M-H]-	208.061524	144.7
[M+NH4]+	227.102623	160.6
[M+K]+	248.031958	147.7
[M+H-H2O]+	192.066060	137.7
[M+HCOO]-	254.067001	165.2
[M+CH3COO]-	268.082651	183.0
[M+Na-2H]-	230.043466	147.5
[M]+	209.06825142	142.8
[M]-	209.06934858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe