CID 23644230

127953-73-5

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC(C=O)C1CCCCC1

InChI

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)

InChIKey

BDSGOSWEKUGHOV-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyclohexyl-2-oxoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 35
Patents: 241.1678 Da
Monoisotopic Mass: 2.9
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	158.3
[M+Na]+	264.157018	160.7
[M-H]-	240.160524	160.5
[M+NH4]+	259.201623	175.2
[M+K]+	280.130958	160.2
[M+H-H2O]+	224.165060	152.3
[M+HCOO]-	286.166001	175.8
[M+CH3COO]-	300.181651	193.8
[M+Na-2H]-	262.142466	160.2
[M]+	241.16725142	155.6
[M]-	241.16834858	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe