CID 58097878

1131220-82-0

Structural Information

Molecular Formula

C₁₅H₂₀BrNO₃

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H20BrNO3/c1-15(2,3)20-14(18)17-8-9-19-13(10-17)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3

InChIKey

UUIDDBRUOCXTAO-UHFFFAOYSA-N

Compound name

tert-butyl 2-(4-bromophenyl)morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 341.06265 Da
Monoisotopic Mass: 3.0
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]+	342.069926	173.2
[M+Na]+	364.051868	181.6
[M-H]-	340.055374	181.0
[M+NH4]+	359.096473	188.0
[M+K]+	380.025808	172.5
[M+H-H2O]+	324.059910	171.9
[M+HCOO]-	386.060851	186.9
[M+CH3COO]-	400.076501	204.6
[M+Na-2H]-	362.037316	177.7
[M]+	341.06210142	191.3
[M]-	341.06319858	191.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe