CID 17088036

898157-46-5

Structural Information

Molecular Formula
C13H22BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(CO2)Br
InChI
InChI=1S/C13H22BrNO3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9H2,1-3H3
InChIKey
OWIBUDVDBOTXOB-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

319.0783 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08558 170.6
[M+Na]+ 342.06752 178.8
[M-H]- 318.07102 177.2
[M+NH4]+ 337.11212 190.2
[M+K]+ 358.04146 170.5
[M+H-H2O]+ 302.07556 171.4
[M+HCOO]- 364.07650 183.0
[M+CH3COO]- 378.09215 198.3
[M+Na-2H]- 340.05297 174.4
[M]+ 319.07775 186.8
[M]- 319.07885 186.8
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