CID 12416326

63987-69-9

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

C1CCNC(C1)CCCC(=O)O

InChI

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

InChIKey

VKKXOOQNBTVWAT-UHFFFAOYSA-N

Compound name

4-piperidin-2-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 171.12593 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]+	172.13321	140.5
[M+Na]+	194.11515	149.1
[M+NH4]+	189.15975	147.4
[M+K]+	210.08909	144.1
[M-H]-	170.11865	139.9
[M+Na-2H]-	192.10060	143.4
[M]+	171.12538	141.1
[M]-	171.12648	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe