CID 146049542

2411250-35-4

Structural Information

Molecular Formula

C₁₂H₂₀BrNO₃

SMILES

CC(C)(C)OC(=O)NC12CCC(C1)(OC2)CBr

InChI

InChI=1S/C12H20BrNO3/c1-10(2,3)17-9(15)14-11-4-5-12(6-11,7-13)16-8-11/h4-8H2,1-3H3,(H,14,15)

InChIKey

FLMKRDXMFGUPPE-UHFFFAOYSA-N

Compound name

tert-butyl N-[1-(bromomethyl)-2-oxabicyclo[2.2.1]heptan-4-yl]carbamate

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

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	168.3
[M+Na]+	328.051868	177.7
[M-H]-	304.055374	173.9
[M+NH4]+	323.096473	193.9
[M+K]+	344.025808	169.0
[M+H-H2O]+	288.059910	171.1
[M+HCOO]-	350.060851	184.6
[M+CH3COO]-	364.076501	198.3
[M+Na-2H]-	326.037316	175.6
[M]+	305.06210142	188.4
[M]-	305.06319858	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.