CID 20794

1-piperidinebutanoic acid

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CCN(CC1)CCCC(=O)O

InChI

InChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)

InChIKey

BGAVZPPPWLEAKZ-UHFFFAOYSA-N

Compound name

4-piperidin-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 619
Patents: 171.12593 Da
Monoisotopic Mass: -1.3
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]+	172.133206	140.1
[M+Na]+	194.115148	143.9
[M-H]-	170.118654	139.6
[M+NH4]+	189.159753	157.9
[M+K]+	210.089088	142.6
[M+H-H2O]+	154.123190	133.6
[M+HCOO]-	216.124131	157.1
[M+CH3COO]-	230.139781	176.4
[M+Na-2H]-	192.100596	143.5
[M]+	171.12538142	135.8
[M]-	171.12647858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe