CID 213517

26593-43-1

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CN(C)C(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C11H13NO3/c1-12(2)10(13)8-6-4-5-7-9(8)11(14)15-3/h4-7H,1-3H3

InChIKey

HJPZFXYWMRWNHV-UHFFFAOYSA-N

Compound name

methyl 2-(dimethylcarbamoyl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.08954 Da
Monoisotopic Mass: 1.1
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	144.0
[M+Na]+	230.078758	150.9
[M-H]-	206.082264	149.3
[M+NH4]+	225.123363	163.3
[M+K]+	246.052698	151.3
[M+H-H2O]+	190.086800	137.6
[M+HCOO]-	252.087741	168.6
[M+CH3COO]-	266.103391	191.6
[M+Na-2H]-	228.064206	147.6
[M]+	207.08899142	147.1
[M]-	207.09008858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe