CID 22570215

1335042-28-8

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)CC=O

InChI

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

InChIKey

OFUFLFMPZVVWTK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 241.1678 Da
Monoisotopic Mass: 2.5
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	157.7
[M+Na]+	264.157018	161.3
[M-H]-	240.160524	160.2
[M+NH4]+	259.201623	176.8
[M+K]+	280.130958	160.7
[M+H-H2O]+	224.165060	152.7
[M+HCOO]-	286.166001	176.2
[M+CH3COO]-	300.181651	192.4
[M+Na-2H]-	262.142466	162.2
[M]+	241.16725142	156.0
[M]-	241.16834858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe