CID 11053054

280758-01-2

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CC(C)[C@H](CC=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H21NO3/c1-8(2)9(6-7-13)12-10(14)15-11(3,4)5/h7-9H,6H2,1-5H3,(H,12,14)/t9-/m0/s1

InChIKey

OBWNQXOVRLYCEL-VIFPVBQESA-N

Compound name

tert-butyl N-[(3S)-4-methyl-1-oxopentan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.15215 Da
Monoisotopic Mass: 1.8
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]+	216.15943	152.1
[M+Na]+	238.14137	158.8
[M+NH4]+	233.18597	157.3
[M+K]+	254.11531	156.1
[M-H]-	214.14487	149.4
[M+Na-2H]-	236.12682	152.8
[M]+	215.15160	151.8
[M]-	215.15270	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.