CID 18404616

193903-41-2

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)C(=O)O

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-10(14)8-13-6-4-9(5-7-13)11(15)16/h9H,4-8H2,1-3H3,(H,15,16)

InChIKey

ZJKLCKHPWZDBIA-UHFFFAOYSA-N

Compound name

1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 243.14706 Da
Monoisotopic Mass: -1.1
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]+	244.154336	156.6
[M+Na]+	266.136278	160.6
[M-H]-	242.139784	156.5
[M+NH4]+	261.180883	171.9
[M+K]+	282.110218	160.1
[M+H-H2O]+	226.144320	150.5
[M+HCOO]-	288.145261	170.7
[M+CH3COO]-	302.160911	189.9
[M+Na-2H]-	264.121726	157.8
[M]+	243.14651142	154.9
[M]-	243.14760858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe