CID 24229407

Tert-butyl 3-oxo-2-phenylazetidine-1-carboxylate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C1C2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-9-11(16)12(15)10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKey
QVQXFDDFQHBXME-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2-phenylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 154.8
[M+Na]+ 270.11007 160.8
[M-H]- 246.11357 160.0
[M+NH4]+ 265.15467 164.6
[M+K]+ 286.08401 162.2
[M+H-H2O]+ 230.11811 142.6
[M+HCOO]- 292.11905 173.1
[M+CH3COO]- 306.13470 196.0
[M+Na-2H]- 268.09552 158.2
[M]+ 247.12030 164.9
[M]- 247.12140 164.9
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.