CID 139022785

1824501-10-1

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CC(=O)C1CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-13(17)12(16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKey
BERNCZJWUMYWDH-UHFFFAOYSA-N
Compound name
tert-butyl 2-benzyl-3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.5
[M+Na]+ 284.12572 165.1
[M-H]- 260.12922 164.6
[M+NH4]+ 279.17032 168.7
[M+K]+ 300.09966 166.3
[M+H-H2O]+ 244.13376 147.1
[M+HCOO]- 306.13470 177.5
[M+CH3COO]- 320.15035 199.0
[M+Na-2H]- 282.11117 162.4
[M]+ 261.13595 170.0
[M]- 261.13705 170.0
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

patents stripe