CID 167740158

Tert-butyl n-{[4-(bromomethyl)bicyclo[2.2.2]octan-1-yl]methyl}carbamate

Structural Information

Molecular Formula
C15H26BrNO2
SMILES
CC(C)(C)OC(=O)NCC12CCC(CC1)(CC2)CBr
InChI
InChI=1S/C15H26BrNO2/c1-13(2,3)19-12(18)17-11-15-7-4-14(10-16,5-8-15)6-9-15/h4-11H2,1-3H3,(H,17,18)
InChIKey
XXGJLRXHCIGEBO-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(bromomethyl)-1-bicyclo[2.2.2]octanyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12198 178.0
[M+Na]+ 354.10392 183.4
[M-H]- 330.10742 176.4
[M+NH4]+ 349.14852 202.8
[M+K]+ 370.07786 173.3
[M+H-H2O]+ 314.11196 179.2
[M+HCOO]- 376.11290 184.9
[M+CH3COO]- 390.12855 209.2
[M+Na-2H]- 352.08937 188.9
[M]+ 331.11415 197.6
[M]- 331.11525 197.6
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.