CID 57659337

Tert-butyl 4'-oxo-3',4'-dihydro-2'h-spiro[azetidine-3,1'-naphthalene]-1-carboxylate

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCC(=O)C3=CC=CC=C23
InChI
InChI=1S/C17H21NO3/c1-16(2,3)21-15(20)18-10-17(11-18)9-8-14(19)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3
InChIKey
CLUPNJIEPGMARI-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxospiro[2,3-dihydronaphthalene-1,3'-azetidine]-1'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

287.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 166.9
[M+Na]+ 310.141348 172.6
[M-H]- 286.144854 171.5
[M+NH4]+ 305.185953 178.3
[M+K]+ 326.115288 173.1
[M+H-H2O]+ 270.149390 155.3
[M+HCOO]- 332.150331 181.0
[M+CH3COO]- 346.165981 203.1
[M+Na-2H]- 308.126796 171.6
[M]+ 287.15158142 175.1
[M]- 287.15267858 175.1
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

patents stripe