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]+ 228.15943 155.2
[M+Na]+ 250.14137 158.1
[M-H]- 226.14487 158.0
[M+NH4]+ 245.18597 166.5
[M+K]+ 266.11531 161.1
[M+H-H2O]+ 210.14941 144.6
[M+HCOO]- 272.15035 173.1
[M+CH3COO]- 286.16600 194.9
[M+Na-2H]- 248.12682 159.2
[M]+ 227.15160 164.4
[M]- 227.15270 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.