CID 139596581

Paamom

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

COCNC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H11NO4/c1-15-6-11-9(12)7-4-2-3-5-8(7)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

InChIKey

PHKMVOGNTJJZHK-UHFFFAOYSA-N

Compound name

2-(methoxymethylcarbamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 209.0688 Da
Monoisotopic Mass: 0.4
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]+	210.076076	143.2
[M+Na]+	232.058018	149.6
[M-H]-	208.061524	145.6
[M+NH4]+	227.102623	160.8
[M+K]+	248.031958	148.5
[M+H-H2O]+	192.066060	136.9
[M+HCOO]-	254.067001	166.2
[M+CH3COO]-	268.082651	185.4
[M+Na-2H]-	230.043466	147.5
[M]+	209.06825142	144.1
[M]-	209.06934858	144.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.