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 (1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 161.0
[M+Na]+ 262.14137 169.3
[M-H]- 238.14487 165.6
[M+NH4]+ 257.18597 177.0
[M+K]+ 278.11531 168.2
[M+H-H2O]+ 222.14941 156.1
[M+HCOO]- 284.15035 174.1
[M+CH3COO]- 298.16600 193.1
[M+Na-2H]- 260.12682 166.2
[M]+ 239.15160 164.1
[M]- 239.15270 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