CID 4962590

2-((dimethylcarbamoyl)methoxy)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CN(C)C(=O)COC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C11H13NO4/c1-12(2)10(13)7-16-9-6-4-3-5-8(9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)

InChIKey

SRYMWAUZDOJACZ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 223.08446 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]+	224.09174	148.1
[M+Na]+	246.07368	157.9
[M+NH4]+	241.11828	154.3
[M+K]+	262.04762	154.4
[M-H]-	222.07718	148.5
[M+Na-2H]-	244.05913	152.7
[M]+	223.08391	149.2
[M]-	223.08501	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe