CID 138987543

Tert-butyl 2-(bromomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C14H24BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(O2)CBr)CC1
InChI
InChI=1S/C14H24BrNO3/c1-13(2,3)19-12(17)16-8-6-14(7-9-16)5-4-11(10-15)18-14/h11H,4-10H2,1-3H3
InChIKey
IMKBTWIBJLMFLD-UHFFFAOYSA-N
Compound name
tert-butyl 2-(bromomethyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.09396 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.10124 175.2
[M+Na]+ 356.08318 182.9
[M-H]- 332.08668 181.6
[M+NH4]+ 351.12778 194.2
[M+K]+ 372.05712 174.4
[M+H-H2O]+ 316.09122 175.8
[M+HCOO]- 378.09216 187.2
[M+CH3COO]- 392.10781 201.1
[M+Na-2H]- 354.06863 178.4
[M]+ 333.09341 191.7
[M]- 333.09451 191.7
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

No patent data available for this compound.