CID 50986388

1821401-91-5

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

33
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 158.8
[M+Na]+ 262.14137 169.1
[M+NH4]+ 257.18597 168.7
[M+K]+ 278.11531 166.0
[M-H]- 238.14487 166.8
[M+Na-2H]- 260.12682 163.2
[M]+ 239.15160 163.7
[M]- 239.15270 163.7
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