CID 43379894

4-amino-3-[(dimethylcarbamoyl)methoxy]benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

CN(C)C(=O)COC1=C(C=CC(=C1)C(=O)O)N

InChI

InChI=1S/C11H14N2O4/c1-13(2)10(14)6-17-9-5-7(11(15)16)3-4-8(9)12/h3-5H,6,12H2,1-2H3,(H,15,16)

InChIKey

HJTSGYSOZKXASX-UHFFFAOYSA-N

Compound name

4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.09535 Da
Monoisotopic Mass: 0.3
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]+	239.102626	151.7
[M+Na]+	261.084568	157.9
[M-H]-	237.088074	155.2
[M+NH4]+	256.129173	168.5
[M+K]+	277.058508	157.8
[M+H-H2O]+	221.092610	144.9
[M+HCOO]-	283.093551	175.3
[M+CH3COO]-	297.109201	197.7
[M+Na-2H]-	259.070016	153.3
[M]+	238.09480142	152.9
[M]-	238.09589858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.