CID 18919494

162504-85-0

Structural Information

Molecular Formula

C₁₅H₁₉NO₅

SMILES

C1CN(CCC1OCC(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO5/c17-14(18)11-20-13-6-8-16(9-7-13)15(19)21-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,17,18)

InChIKey

WMFVDLNUEFUSES-UHFFFAOYSA-N

Compound name

2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 293.1263 Da
Monoisotopic Mass: 1.6
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]+	294.133576	166.5
[M+Na]+	316.115518	169.7
[M-H]-	292.119024	169.2
[M+NH4]+	311.160123	178.9
[M+K]+	332.089458	168.0
[M+H-H2O]+	276.123560	157.9
[M+HCOO]-	338.124501	182.8
[M+CH3COO]-	352.140151	196.5
[M+Na-2H]-	314.100966	167.8
[M]+	293.12575142	165.1
[M]-	293.12684858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe