CID 165881565

Tert-butyl (3'ar,6'as)-3-oxo-hexahydro-1'h-spiro[cyclobutane-1,5'-cyclopenta[c]pyrrole]-2'-carboxylate

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC3(C[C@H]2C1)CC(=O)C3
InChI
InChI=1S/C15H23NO3/c1-14(2,3)19-13(18)16-8-10-4-15(5-11(10)9-16)6-12(17)7-15/h10-11H,4-9H2,1-3H3/t10-,11+
InChIKey
IZHLHJRMJBENMZ-PHIMTYICSA-N
Compound name
tert-butyl (3aS,6aR)-3'-oxospiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,1'-cyclobutane]-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 162.6
[M+Na]+ 288.157018 167.4
[M-H]- 264.160524 167.6
[M+NH4]+ 283.201623 178.4
[M+K]+ 304.130958 168.2
[M+H-H2O]+ 248.165060 154.3
[M+HCOO]- 310.166001 177.5
[M+CH3COO]- 324.181651 197.8
[M+Na-2H]- 286.142466 162.9
[M]+ 265.16725142 170.2
[M]- 265.16834858 170.2
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.