CID 15748513

628324-79-8

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-3-8-6-5-7-9(4-2)10(8)13-11(14)12(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)

InChIKey

WZXKAAQQMJMXTC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 221.1052 Da
Monoisotopic Mass: 1.8
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]+	222.112476	149.4
[M+Na]+	244.094418	156.1
[M-H]-	220.097924	151.9
[M+NH4]+	239.139023	167.1
[M+K]+	260.068358	154.0
[M+H-H2O]+	204.102460	143.3
[M+HCOO]-	266.103401	171.6
[M+CH3COO]-	280.119051	189.8
[M+Na-2H]-	242.079866	151.9
[M]+	221.10465142	150.0
[M]-	221.10574858	150.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.