CID 155385

70628-36-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O

InChI

InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)

InChIKey

HYHJOUPYTUBFIX-UHFFFAOYSA-N

Compound name

2-oxo-2-(N-propan-2-ylanilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2
Patents: 207.08954 Da
Monoisotopic Mass: 2.0
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	145.7
[M+Na]+	230.07876	155.3
[M+NH4]+	225.12336	152.3
[M+K]+	246.05270	151.8
[M-H]-	206.08226	146.4
[M+Na-2H]-	228.06421	150.6
[M]+	207.08899	146.9
[M]-	207.09009	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe