CID 145867335

2303363-64-4

Structural Information

Molecular Formula
C14H24BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC2)C(C1)CBr
InChI
InChI=1S/C14H24BrNO2/c1-13(2,3)18-12(17)16-8-7-14(5-4-6-14)11(9-15)10-16/h11H,4-10H2,1-3H3
InChIKey
SJSPUJFVVWUEAY-UHFFFAOYSA-N
Compound name
tert-butyl 9-(bromomethyl)-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10631 162.1
[M+Na]+ 340.08825 168.9
[M-H]- 316.09175 167.8
[M+NH4]+ 335.13285 175.5
[M+K]+ 356.06219 162.0
[M+H-H2O]+ 300.09629 158.1
[M+HCOO]- 362.09723 174.1
[M+CH3COO]- 376.11288 203.6
[M+Na-2H]- 338.07370 166.5
[M]+ 317.09848 185.9
[M]- 317.09958 185.9
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.