CID 165484310

Tert-butyl 1-(bromomethyl)-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC12CC(C1)(CN(C2)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C13H22BrNO2/c1-11(2,3)17-10(16)15-8-12(4)5-13(6-12,7-14)9-15/h5-9H2,1-4H3
InChIKey
SVYOGTAYKSFYJV-UHFFFAOYSA-N
Compound name
tert-butyl 1-(bromomethyl)-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 173.2
[M+Na]+ 326.07262 181.0
[M-H]- 302.07612 173.5
[M+NH4]+ 321.11722 192.4
[M+K]+ 342.04656 174.5
[M+H-H2O]+ 286.08066 171.3
[M+HCOO]- 348.08160 180.6
[M+CH3COO]- 362.09725 205.4
[M+Na-2H]- 324.05807 183.0
[M]+ 303.08285 203.0
[M]- 303.08395 203.0
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.