CID 10377658

169206-65-9

Structural Information

Molecular Formula

C₁₃H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(=CC(=O)OC)CC1

InChI

InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-7-5-10(6-8-14)9-11(15)17-4/h9H,5-8H2,1-4H3

InChIKey

OHLLSFRHFHSUES-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-methoxy-2-oxoethylidene)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 246
Patents: 255.14706 Da
Monoisotopic Mass: 1.4
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]+	256.154336	159.4
[M+Na]+	278.136278	164.0
[M-H]-	254.139784	160.8
[M+NH4]+	273.180883	175.2
[M+K]+	294.110218	163.6
[M+H-H2O]+	238.144320	153.2
[M+HCOO]-	300.145261	175.1
[M+CH3COO]-	314.160911	192.5
[M+Na-2H]-	276.121726	160.7
[M]+	255.14651142	159.1
[M]-	255.14760858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe