CID 165881565

2839128-56-0

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 (3aR,6aS)-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]+ 266.17508 162.6
[M+Na]+ 288.15702 167.4
[M-H]- 264.16052 167.6
[M+NH4]+ 283.20162 178.4
[M+K]+ 304.13096 168.2
[M+H-H2O]+ 248.16506 154.3
[M+HCOO]- 310.16600 177.5
[M+CH3COO]- 324.18165 197.8
[M+Na-2H]- 286.14247 162.9
[M]+ 265.16725 170.2
[M]- 265.16835 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.