CID 11579497

394735-19-4

Structural Information

Molecular Formula

C₁₂H₂₁NO₃

SMILES

CC(C)(C)OC(=O)NC(CC1CCC1)C=O

InChI

InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10(8-14)7-9-5-4-6-9/h8-10H,4-7H2,1-3H3,(H,13,15)

InChIKey

LVCAPQKMCGHHCC-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyclobutyl-3-oxopropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 227.15215 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]+	228.159426	156.9
[M+Na]+	250.141368	159.1
[M-H]-	226.144874	159.5
[M+NH4]+	245.185973	167.9
[M+K]+	266.115308	162.1
[M+H-H2O]+	210.149410	145.5
[M+HCOO]-	272.150351	175.3
[M+CH3COO]-	286.166001	195.3
[M+Na-2H]-	248.126816	158.6
[M]+	227.15160142	165.9
[M]-	227.15269858	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe