CID 98010222

1250959-07-9

Structural Information

Molecular Formula

C₁₂H₂₁NO₄

SMILES

C[C@@H]1C[C@@H](CCN1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1

InChIKey

JYCRXMSJGZWACP-RKDXNWHRSA-N

Compound name

(2R,4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 243.14706 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]+	244.154336	155.9
[M+Na]+	266.136278	160.9
[M-H]-	242.139784	156.2
[M+NH4]+	261.180883	171.6
[M+K]+	282.110218	160.5
[M+H-H2O]+	226.144320	150.3
[M+HCOO]-	288.145261	170.1
[M+CH3COO]-	302.160911	190.5
[M+Na-2H]-	264.121726	156.5
[M]+	243.14651142	154.5
[M]-	243.14760858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe