CID 38363

4-piperidinophenylacetic acid

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CCN(CC1)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C13H17NO2/c15-13(16)10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)

InChIKey

WUUFNZNTHNHUAL-UHFFFAOYSA-N

Compound name

2-(4-piperidin-1-ylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 219.12593 Da
Monoisotopic Mass: 2.4
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]+	220.13321	151.0
[M+Na]+	242.11515	162.8
[M+NH4]+	237.15975	159.0
[M+K]+	258.08909	156.3
[M-H]-	218.11865	153.8
[M+Na-2H]-	240.10060	157.6
[M]+	219.12538	153.3
[M]-	219.12648	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe