CID 167718205

Tert-butyl 8-bromo-2-azadispiro[3.1.3^{6}.1^{4}]decane-2-carboxylate

Structural Information

Molecular Formula
C14H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC3(C2)CC(C3)Br
InChI
InChI=1S/C14H22BrNO2/c1-12(2,3)18-11(17)16-8-14(9-16)6-13(7-14)4-10(15)5-13/h10H,4-9H2,1-3H3
InChIKey
LYVSLLGJBAWVRX-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-8-azadispiro[3.1.36.14]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09068 140.6
[M+Na]+ 338.07262 145.9
[M-H]- 314.07612 147.8
[M+NH4]+ 333.11722 143.8
[M+K]+ 354.04656 145.0
[M+H-H2O]+ 298.08066 132.3
[M+HCOO]- 360.08160 150.6
[M+CH3COO]- 374.09725 221.4
[M+Na-2H]- 336.05807 146.1
[M]+ 315.08285 174.1
[M]- 315.08395 174.1
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

No patent data available for this compound.