CID 57974259

1374653-92-5

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

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

InChI

InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-8-5-13(4,6-9-14)7-10-15/h10H,5-9H2,1-4H3

InChIKey

XCEHBZUIZUBINW-UHFFFAOYSA-N

Compound name

tert-butyl 4-methyl-4-(2-oxoethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 241.1678 Da
Monoisotopic Mass: 1.7
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]+	242.175076	157.0
[M+Na]+	264.157018	162.4
[M-H]-	240.160524	158.5
[M+NH4]+	259.201623	175.5
[M+K]+	280.130958	161.9
[M+H-H2O]+	224.165060	151.7
[M+HCOO]-	286.166001	173.2
[M+CH3COO]-	300.181651	191.3
[M+Na-2H]-	262.142466	160.6
[M]+	241.16725142	157.1
[M]-	241.16834858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe