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 166.3
[M+Na]+ 298.14135 170.5
[M-H]- 274.14485 172.5
[M+NH4]+ 293.18595 177.6
[M+K]+ 314.11529 171.8
[M+H-H2O]+ 258.14939 155.0
[M+HCOO]- 320.15033 186.1
[M+CH3COO]- 334.16598 202.5
[M+Na-2H]- 296.12680 170.5
[M]+ 275.15158 175.8
[M]- 275.15268 175.8
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.