CID 58356091

2138194-28-0

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(=O)C1CC(C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO3/c1-7(13)8-5-9(6-8)12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)

InChIKey

VYJRFDNQFJRTMU-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-acetylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 213.13649 Da
Monoisotopic Mass: 1.2
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]+	214.14377	151.8
[M+Na]+	236.12571	155.3
[M-H]-	212.12921	155.0
[M+NH4]+	231.17031	163.7
[M+K]+	252.09965	158.6
[M+H-H2O]+	196.13375	141.0
[M+HCOO]-	258.13469	170.6
[M+CH3COO]-	272.15034	193.5
[M+Na-2H]-	234.11116	153.4
[M]+	213.13594	160.9
[M]-	213.13704	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe