CID 20992475

5-chloro-2-[2-(dimethylamino)ethoxy]benzoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

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

InChI

InChI=1S/C11H14ClNO3/c1-13(2)5-6-16-10-4-3-8(12)7-9(10)11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)

InChIKey

NIQBWPASODRYKV-UHFFFAOYSA-N

Compound name

5-chloro-2-[2-(dimethylamino)ethoxy]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.06622 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]+	244.073496	150.7
[M+Na]+	266.055438	158.7
[M-H]-	242.058944	154.6
[M+NH4]+	261.100043	169.0
[M+K]+	282.029378	156.2
[M+H-H2O]+	226.063480	145.4
[M+HCOO]-	288.064421	170.0
[M+CH3COO]-	302.080071	195.3
[M+Na-2H]-	264.040886	153.9
[M]+	243.06567142	155.8
[M]-	243.06676858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.