CID 122156946

3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃Cl₂NO₂

SMILES

CC(C)(C(C1=CC(=CC(=C1)Cl)Cl)N)C(=O)O

InChI

InChI=1S/C11H13Cl2NO2/c1-11(2,10(15)16)9(14)6-3-7(12)5-8(13)4-6/h3-5,9H,14H2,1-2H3,(H,15,16)

InChIKey

TYQJZQYNBISFNU-UHFFFAOYSA-N

Compound name

3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03235 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]+	262.039626	153.8
[M+Na]+	284.021568	162.2
[M-H]-	260.025074	155.5
[M+NH4]+	279.066173	171.0
[M+K]+	299.995508	157.0
[M+H-H2O]+	244.029610	150.5
[M+HCOO]-	306.030551	164.2
[M+CH3COO]-	320.046201	195.0
[M+Na-2H]-	282.007016	155.5
[M]+	261.03180142	155.3
[M]-	261.03289858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.