CID 70994

Methyl 4-(dimethylamino)benzoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

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

InChI

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

InChIKey

DBQGARDMYOMOOS-UHFFFAOYSA-N

Compound name

methyl 4-(dimethylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5894
Patents: 179.09464 Da
Monoisotopic Mass: 2.4
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]+	180.101916	137.5
[M+Na]+	202.083858	144.8
[M-H]-	178.087364	142.9
[M+NH4]+	197.128463	158.1
[M+K]+	218.057798	145.0
[M+H-H2O]+	162.091900	131.3
[M+HCOO]-	224.092841	163.0
[M+CH3COO]-	238.108491	187.2
[M+Na-2H]-	200.069306	142.8
[M]+	179.09409142	140.2
[M]-	179.09518858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe