CID 84725945

Tert-butyl n-(2-cyclobutyl-1-oxopropan-2-yl)carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC(C)(C=O)C1CCC1
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-12(4,8-14)9-6-5-7-9/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKey
UOSXMTVNALWBHS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyclobutyl-1-oxopropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 155.2
[M+Na]+ 250.141368 158.1
[M-H]- 226.144874 158.0
[M+NH4]+ 245.185973 166.5
[M+K]+ 266.115308 161.1
[M+H-H2O]+ 210.149410 144.6
[M+HCOO]- 272.150351 173.1
[M+CH3COO]- 286.166001 194.9
[M+Na-2H]- 248.126816 159.2
[M]+ 227.15160142 164.4
[M]- 227.15269858 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.