CID 50853305

952486-65-6

Structural Information

Molecular Formula

C₁₃H₂₃NO₅

SMILES

CC(C(=O)O)OC1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO5/c1-9(11(15)16)18-10-5-7-14(8-6-10)12(17)19-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)

InChIKey

YHKRUDZVAIDLNI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 273.15762 Da
Monoisotopic Mass: 1.5
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]+	274.164896	163.0
[M+Na]+	296.146838	166.3
[M-H]-	272.150344	162.8
[M+NH4]+	291.191443	177.0
[M+K]+	312.120778	166.7
[M+H-H2O]+	256.154880	156.9
[M+HCOO]-	318.155821	176.1
[M+CH3COO]-	332.171471	195.3
[M+Na-2H]-	294.132286	162.8
[M]+	273.15707142	162.5
[M]-	273.15816858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe