CID 14987869

2903-48-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(=O)O

InChI

InChI=1S/C10H11NO3/c1-6-4-3-5-7(2)8(6)11-9(12)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)

InChIKey

JFTAPSBIODPQJN-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylanilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 349
Patents: 193.0739 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]+	194.08118	141.3
[M+Na]+	216.06312	152.0
[M+NH4]+	211.10772	148.0
[M+K]+	232.03706	147.8
[M-H]-	192.06662	142.1
[M+Na-2H]-	214.04857	146.1
[M]+	193.07335	142.7
[M]-	193.07445	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe