CID 3861124

2392-54-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

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

InChIKey

VYJVNURAECJMGD-UHFFFAOYSA-N

Compound name

2-[acetyl(methyl)amino]-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 207.08954 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]+	208.096816	145.3
[M+Na]+	230.078758	150.4
[M-H]-	206.082264	148.8
[M+NH4]+	225.123363	163.4
[M+K]+	246.052698	150.4
[M+H-H2O]+	190.086800	138.9
[M+HCOO]-	252.087741	167.3
[M+CH3COO]-	266.103391	189.4
[M+Na-2H]-	228.064206	147.8
[M]+	207.08899142	145.5
[M]-	207.09008858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe