CID 138039594

Tert-butyl 8-(bromomethyl)-6-azabicyclo[3.2.1]octane-6-carboxylate

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2CCCC1C2CBr
InChI
InChI=1S/C13H22BrNO2/c1-13(2,3)17-12(16)15-8-9-5-4-6-11(15)10(9)7-14/h9-11H,4-8H2,1-3H3
InChIKey
UMUNXGPKVWNSJB-UHFFFAOYSA-N
Compound name
tert-butyl 8-(bromomethyl)-6-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 171.4
[M+Na]+ 326.07262 180.3
[M-H]- 302.07612 174.9
[M+NH4]+ 321.11722 192.6
[M+K]+ 342.04656 170.1
[M+H-H2O]+ 286.08066 172.1
[M+HCOO]- 348.08160 183.9
[M+CH3COO]- 362.09725 200.0
[M+Na-2H]- 324.05807 174.1
[M]+ 303.08285 189.0
[M]- 303.08395 189.0
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.