CID 12874670

73251-32-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

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

InChI

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

InChIKey

FPIURKVYZFPGJO-UHFFFAOYSA-N

Compound name

[2-(N-methylanilino)-2-oxoethyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 207.08954 Da
Monoisotopic Mass: 0.5
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]+	208.096816	145.0
[M+Na]+	230.078758	150.9
[M-H]-	206.082264	149.9
[M+NH4]+	225.123363	164.0
[M+K]+	246.052698	151.3
[M+H-H2O]+	190.086800	138.2
[M+HCOO]-	252.087741	169.6
[M+CH3COO]-	266.103391	190.4
[M+Na-2H]-	228.064206	149.2
[M]+	207.08899142	147.6
[M]-	207.09008858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe