CID 50986388

1196118-80-5

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC3(C2)CO3
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(15)14-9-4-5-10(14)7-13(6-9)8-16-13/h9-10H,4-8H2,1-3H3/t9-,10+,13?
InChIKey
CPDRWKNXZSZLBV-HWYHXSKPSA-N
Compound name
tert-butyl (1R,5S)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.159426 161.0
[M+Na]+ 262.141368 169.3
[M-H]- 238.144874 165.6
[M+NH4]+ 257.185973 177.0
[M+K]+ 278.115308 168.2
[M+H-H2O]+ 222.149410 156.1
[M+HCOO]- 284.150351 174.1
[M+CH3COO]- 298.166001 193.1
[M+Na-2H]- 260.126816 166.2
[M]+ 239.15160142 164.1
[M]- 239.15269858 164.1
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