CID 146049523

2411263-92-6

Structural Information

Molecular Formula
C13H22BrNO3
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(CCO2)CBr
InChI
InChI=1S/C13H22BrNO3/c1-11(2,3)18-10(16)15-9-13-6-12(7-13,8-14)4-5-17-13/h4-9H2,1-3H3,(H,15,16)
InChIKey
QRUOVFFNEYPLDG-UHFFFAOYSA-N
Compound name
tert-butyl N-[[5-(bromomethyl)-2-oxabicyclo[3.1.1]heptan-1-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08558 173.5
[M+Na]+ 342.06752 179.2
[M-H]- 318.07102 175.0
[M+NH4]+ 337.11212 191.3
[M+K]+ 358.04146 174.2
[M+H-H2O]+ 302.07556 171.0
[M+HCOO]- 364.07650 182.0
[M+CH3COO]- 378.09215 208.3
[M+Na-2H]- 340.05297 185.2
[M]+ 319.07775 203.6
[M]- 319.07885 203.6
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.