CID 24720884

215790-29-7

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)CC=O

InChI

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

InChIKey

OPGBSEXLSWYFOR-UHFFFAOYSA-N

Compound name

tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 241.1678 Da
Monoisotopic Mass: 1.9
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]+	242.17508	157.9
[M+Na]+	264.15702	161.4
[M-H]-	240.16052	160.4
[M+NH4]+	259.20162	175.2
[M+K]+	280.13096	160.5
[M+H-H2O]+	224.16506	152.0
[M+HCOO]-	286.16600	176.3
[M+CH3COO]-	300.18165	194.1
[M+Na-2H]-	262.14247	160.3
[M]+	241.16725	156.2
[M]-	241.16835	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe