CID 223386

Glutaranilic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

C1=CC=C(C=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C11H13NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)

InChIKey

NUDGFGBJFZEEEJ-UHFFFAOYSA-N

Compound name

5-anilino-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 124
Patents: 207.08954 Da
Monoisotopic Mass: 1.0
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]+	208.09682	146.3
[M+Na]+	230.07876	156.0
[M+NH4]+	225.12336	152.8
[M+K]+	246.05270	151.2
[M-H]-	206.08226	146.9
[M+Na-2H]-	228.06421	151.3
[M]+	207.08899	147.5
[M]-	207.09009	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe