CID 82601746

1-(piperidin-4-yl)cyclobutane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1CC(C1)(C2CCNCC2)C(=O)O

InChI

InChI=1S/C10H17NO2/c12-9(13)10(4-1-5-10)8-2-6-11-7-3-8/h8,11H,1-7H2,(H,12,13)

InChIKey

OVVHTMWGWJQCIU-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 Da
Monoisotopic Mass: -1.4
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]+	184.133206	142.9
[M+Na]+	206.115148	145.2
[M-H]-	182.118654	144.3
[M+NH4]+	201.159753	154.8
[M+K]+	222.089088	146.0
[M+H-H2O]+	166.123190	132.0
[M+HCOO]-	228.124131	156.4
[M+CH3COO]-	242.139781	178.3
[M+Na-2H]-	204.100596	145.9
[M]+	183.12538142	143.4
[M]-	183.12647858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.