CID 15512317

204139-61-7

Structural Information

Molecular Formula

C₁₇H₂₃NO₄

SMILES

C1CN(CCC1CCCC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c19-16(20)8-4-7-14-9-11-18(12-10-14)17(21)22-13-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,20)

InChIKey

BZRPDNDVXWLKCX-UHFFFAOYSA-N

Compound name

4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 305.16272 Da
Monoisotopic Mass: 2.8
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]+	306.169996	173.1
[M+Na]+	328.151938	175.6
[M-H]-	304.155444	175.4
[M+NH4]+	323.196543	185.1
[M+K]+	344.125878	172.7
[M+H-H2O]+	288.159980	164.3
[M+HCOO]-	350.160921	188.5
[M+CH3COO]-	364.176571	200.3
[M+Na-2H]-	326.137386	173.1
[M]+	305.16217142	170.8
[M]-	305.16326858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe