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: 49
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	140.8
[M+Na]+	194.11515	144.2
[M-H]-	170.11865	138.9
[M+NH4]+	189.15975	157.9
[M+K]+	210.08909	141.9
[M+H-H2O]+	154.12319	134.5
[M+HCOO]-	216.12413	156.3
[M+CH3COO]-	230.13978	173.8
[M+Na-2H]-	192.10060	143.7
[M]+	171.12538	134.7
[M]-	171.12648	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe