CID 5167702

4-piperidine butyric acid hydrochloride

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CNCCC1CCCC(=O)O

InChI

InChI=1S/C9H17NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h8,10H,1-7H2,(H,11,12)

InChIKey

MSTPNVITZIFFEK-UHFFFAOYSA-N

Compound name

4-piperidin-4-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
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	140.8
[M+Na]+	194.115148	144.2
[M-H]-	170.118654	138.9
[M+NH4]+	189.159753	157.9
[M+K]+	210.089088	141.9
[M+H-H2O]+	154.123190	134.5
[M+HCOO]-	216.124131	156.3
[M+CH3COO]-	230.139781	173.8
[M+Na-2H]-	192.100596	143.7
[M]+	171.12538142	134.7
[M]-	171.12647858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe