CID 165761434

2803862-10-2

Structural Information

Molecular Formula
C12H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CCO2)CBr
InChI
InChI=1S/C12H20BrNO3/c1-11(2,3)17-10(15)14-8-12(7-13)6-9(14)4-5-16-12/h9H,4-8H2,1-3H3
InChIKey
LZGZQEGIUQKLNZ-UHFFFAOYSA-N
Compound name
tert-butyl 1-(bromomethyl)-2-oxa-6-azabicyclo[3.2.1]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06265 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.06993 167.1
[M+Na]+ 328.05187 176.4
[M-H]- 304.05537 171.3
[M+NH4]+ 323.09647 188.6
[M+K]+ 344.02581 168.1
[M+H-H2O]+ 288.05991 168.6
[M+HCOO]- 350.06085 179.3
[M+CH3COO]- 364.07650 197.7
[M+Na-2H]- 326.03732 173.2
[M]+ 305.06210 186.5
[M]- 305.06320 186.5
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.