CID 18794179

2309474-08-4

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

C1CNCCC1C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H17NO2/c15-13(16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12,14H,6-9H2,(H,15,16)

InChIKey

UHLKVWIBIPNNPG-UHFFFAOYSA-N

Compound name

2-phenyl-2-piperidin-4-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 219.12593 Da
Monoisotopic Mass: -0.5
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	151.6
[M+Na]+	242.11515	162.1
[M+NH4]+	237.15975	159.1
[M+K]+	258.08909	156.6
[M-H]-	218.11865	153.6
[M+Na-2H]-	240.10060	157.5
[M]+	219.12538	153.3
[M]-	219.12648	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe