CID 66787499

Schembl745045

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NCCC(=O)C1CCC1

InChI

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

InChIKey

CUQXDVAKSCRELW-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-cyclobutyl-3-oxopropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 227.15215 Da
Monoisotopic Mass: 1.6
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	156.9
[M+Na]+	250.14137	159.1
[M-H]-	226.14487	159.5
[M+NH4]+	245.18597	167.9
[M+K]+	266.11531	162.1
[M+H-H2O]+	210.14941	145.5
[M+HCOO]-	272.15035	175.3
[M+CH3COO]-	286.16600	195.3
[M+Na-2H]-	248.12682	158.6
[M]+	227.15160	165.9
[M]-	227.15270	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe