CID 28710564

152019-74-4

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CCC1=CC=CC(=C1NC(=O)C(=O)O)C

InChI

InChI=1S/C11H13NO3/c1-3-8-6-4-5-7(2)9(8)12-10(13)11(14)15/h4-6H,3H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

SAWXESXDACFEPC-UHFFFAOYSA-N

Compound name

2-(2-ethyl-6-methylanilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 1
Patents: 207.08954 Da
Monoisotopic Mass: 1.4
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	145.8
[M+Na]+	230.07876	156.3
[M+NH4]+	225.12336	152.3
[M+K]+	246.05270	151.9
[M-H]-	206.08226	146.5
[M+Na-2H]-	228.06421	150.3
[M]+	207.08899	147.1
[M]-	207.09009	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe