CID 17781891

815593-60-3

Structural Information

Molecular Formula

C₁₃H₂₃NO₄

SMILES

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

InChI

InChI=1S/C13H23NO4/c1-9(11(15)16)10-5-7-14(8-6-10)12(17)18-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)

InChIKey

FZNNOLMIECALJP-UHFFFAOYSA-N

Compound name

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 257.16272 Da
Monoisotopic Mass: 1.9
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]+	258.169996	160.4
[M+Na]+	280.151938	163.9
[M-H]-	256.155444	160.3
[M+NH4]+	275.196543	175.2
[M+K]+	296.125878	163.7
[M+H-H2O]+	240.159980	154.5
[M+HCOO]-	302.160921	173.4
[M+CH3COO]-	316.176571	193.2
[M+Na-2H]-	278.137386	160.0
[M]+	257.16217142	158.5
[M]-	257.16326858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe