CID 67371301

1225276-07-2

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)Br
InChI
InChI=1S/C13H22BrNO2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(14)9-13/h10H,4-9H2,1-3H3
InChIKey
GACABBWTCSUAEK-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

303.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 157.5
[M+Na]+ 326.07262 164.7
[M-H]- 302.07612 163.5
[M+NH4]+ 321.11722 171.4
[M+K]+ 342.04656 158.1
[M+H-H2O]+ 286.08066 153.7
[M+HCOO]- 348.08160 169.8
[M+CH3COO]- 362.09725 200.9
[M+Na-2H]- 324.05807 162.5
[M]+ 303.08285 181.0
[M]- 303.08395 181.0
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.