CID 115035264

(1r,3r)-3-amino-1-(4-chlorophenyl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1C(CC1(C2=CC=C(C=C2)Cl)C(=O)O)N

InChI

InChI=1S/C11H12ClNO2/c12-8-3-1-7(2-4-8)11(10(14)15)5-9(13)6-11/h1-4,9H,5-6,13H2,(H,14,15)

InChIKey

YULIRIXQZPUXGN-UHFFFAOYSA-N

Compound name

3-amino-1-(4-chlorophenyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.05565 Da
Monoisotopic Mass: -0.8
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]+	226.062926	146.1
[M+Na]+	248.044868	153.2
[M-H]-	224.048374	151.1
[M+NH4]+	243.089473	159.5
[M+K]+	264.018808	151.7
[M+H-H2O]+	208.052910	136.6
[M+HCOO]-	270.053851	162.3
[M+CH3COO]-	284.069501	190.1
[M+Na-2H]-	246.030316	149.6
[M]+	225.05510142	153.5
[M]-	225.05619858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.