CID 67530868

Rac-2-[(1r,3r)-3-aminocyclobutyl]acetic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C(CC1N)CC(=O)O

InChI

InChI=1S/C6H11NO2/c7-5-1-4(2-5)3-6(8)9/h4-5H,1-3,7H2,(H,8,9)

InChIKey

JZOKIDHQIVAHON-UHFFFAOYSA-N

Compound name

2-(3-aminocyclobutyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 129.07898 Da
Monoisotopic Mass: -2.7
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]+	130.086256	127.6
[M+Na]+	152.068198	132.4
[M-H]-	128.071704	129.3
[M+NH4]+	147.112803	141.8
[M+K]+	168.042138	134.7
[M+H-H2O]+	112.076240	117.2
[M+HCOO]-	174.077181	148.0
[M+CH3COO]-	188.092831	175.4
[M+Na-2H]-	150.053646	130.7
[M]+	129.07843142	132.7
[M]-	129.07952858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe