CID 152465

23082-14-6

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

InChI=1S/C11H13NO3/c1-7-3-8(2)5-9(4-7)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)

InChIKey

GXECYTYPWZCYKI-UHFFFAOYSA-N

Compound name

2-[(3,5-dimethylbenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 207.08954 Da
Monoisotopic Mass: 1.5
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	145.6
[M+Na]+	230.07876	156.1
[M+NH4]+	225.12336	152.1
[M+K]+	246.05270	151.7
[M-H]-	206.08226	146.3
[M+Na-2H]-	228.06421	150.1
[M]+	207.08899	147.0
[M]-	207.09009	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.