CID 66099157

4-amino-3-(4-methylcyclohexyl)butanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC1CCC(CC1)C(CC(=O)O)CN

InChI

InChI=1S/C11H21NO2/c1-8-2-4-9(5-3-8)10(7-12)6-11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)

InChIKey

WPWJEYDSOZNVDG-UHFFFAOYSA-N

Compound name

4-amino-3-(4-methylcyclohexyl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.15723 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]+	200.164506	149.0
[M+Na]+	222.146448	151.8
[M-H]-	198.149954	149.5
[M+NH4]+	217.191053	166.7
[M+K]+	238.120388	150.2
[M+H-H2O]+	182.154490	143.1
[M+HCOO]-	244.155431	166.0
[M+CH3COO]-	258.171081	186.2
[M+Na-2H]-	220.131896	148.6
[M]+	199.15668142	142.9
[M]-	199.15777858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.