CID 177798767

3026696-08-9

Structural Information

Molecular Formula

C₁₂H₂₀BrNO₃

SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)(CO2)CBr

InChI

InChI=1S/C12H20BrNO3/c1-11(2,3)17-10(15)14-5-9-4-12(6-13,7-14)8-16-9/h9H,4-8H2,1-3H3

InChIKey

STEXANQSCOSZGD-UHFFFAOYSA-N

Compound name

tert-butyl 1-(bromomethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.06265 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.069926	167.1
[M+Na]+	328.051868	176.4
[M-H]-	304.055374	171.3
[M+NH4]+	323.096473	188.6
[M+K]+	344.025808	168.1
[M+H-H2O]+	288.059910	168.6
[M+HCOO]-	350.060851	179.3
[M+CH3COO]-	364.076501	197.7
[M+Na-2H]-	326.037316	173.2
[M]+	305.06210142	186.5
[M]-	305.06319858	186.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.