CID 82336

Methyl 2-(dimethylamino)benzoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3

InChIKey

ZCNSBHAIPOWHJE-UHFFFAOYSA-N

Compound name

methyl 2-(dimethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 914
Patents: 179.09464 Da
Monoisotopic Mass: 1.9
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]+	180.10192	138.2
[M+Na]+	202.08386	150.1
[M+NH4]+	197.12846	146.5
[M+K]+	218.05780	144.6
[M-H]-	178.08736	140.8
[M+Na-2H]-	200.06931	145.1
[M]+	179.09409	140.5
[M]-	179.09519	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe