CID 24820328

400899-84-5

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N(C)C1CCC(=O)CC1

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3

InChIKey

JAMGILZSPQRPBH-UHFFFAOYSA-N

Compound name

tert-butyl N-methyl-N-(4-oxocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 178
Patents: 227.15215 Da
Monoisotopic Mass: 1.3
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]+	228.15943	152.8
[M+Na]+	250.14137	160.8
[M+NH4]+	245.18597	159.5
[M+K]+	266.11531	157.2
[M-H]-	226.14487	153.3
[M+Na-2H]-	248.12682	155.8
[M]+	227.15160	153.7
[M]-	227.15270	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe