CID 201759

O-anisic acid, ester with n,n-dimethylglycolamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₄

SMILES

CN(C)C(=O)COC(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C12H15NO4/c1-13(2)11(14)8-17-12(15)9-6-4-5-7-10(9)16-3/h4-7H,8H2,1-3H3

InChIKey

RHBSARBDEDXWOB-UHFFFAOYSA-N

Compound name

[2-(dimethylamino)-2-oxoethyl] 2-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 237.10011 Da
Monoisotopic Mass: 0.6
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]+	238.107386	151.7
[M+Na]+	260.089328	158.0
[M-H]-	236.092834	156.7
[M+NH4]+	255.133933	169.7
[M+K]+	276.063268	158.7
[M+H-H2O]+	220.097370	144.7
[M+HCOO]-	282.098311	176.1
[M+CH3COO]-	296.113961	196.7
[M+Na-2H]-	258.074776	154.8
[M]+	237.09956142	156.5
[M]-	237.10065858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe