CID 6486619

4-(2-(dimethylamino)ethoxy)benzoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CN(C)CCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H15NO3/c1-12(2)7-8-15-10-5-3-9(4-6-10)11(13)14/h3-6H,7-8H2,1-2H3,(H,13,14)

InChIKey

MVUIARKPLKVQFN-UHFFFAOYSA-N

Compound name

4-[2-(dimethylamino)ethoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 209.1052 Da
Monoisotopic Mass: -0.2
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]+	210.112476	145.7
[M+Na]+	232.094418	151.9
[M-H]-	208.097924	149.3
[M+NH4]+	227.139023	164.2
[M+K]+	248.068358	151.5
[M+H-H2O]+	192.102460	139.2
[M+HCOO]-	254.103401	169.5
[M+CH3COO]-	268.119051	190.3
[M+Na-2H]-	230.079866	149.9
[M]+	209.10465142	148.3
[M]-	209.10574858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe