CID 165948582

Tert-butyl n-(1-benzyl-3-oxocyclobutyl)carbamate

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)NC1(CC(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-15(2,3)20-14(19)17-16(10-13(18)11-16)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19)
InChIKey
CWZHQJAJONTFGY-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-benzyl-3-oxocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 167.8
[M+Na]+ 298.14135 173.2
[M+NH4]+ 293.18595 171.7
[M+K]+ 314.11529 168.0
[M-H]- 274.14485 167.0
[M+Na-2H]- 296.12680 172.1
[M]+ 275.15158 167.1
[M]- 275.15268 167.1
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.