CID 57418765

765914-78-1

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)CBr

InChI

InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3

InChIKey

RLXCSEPIBOWMOJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 230
Patents: 279.047 Da
Monoisotopic Mass: 1.6
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]+	280.05428	157.4
[M+Na]+	302.03622	166.1
[M-H]-	278.03972	162.2
[M+NH4]+	297.08082	174.8
[M+K]+	318.01016	157.9
[M+H-H2O]+	262.04426	157.1
[M+HCOO]-	324.04520	171.4
[M+CH3COO]-	338.06085	193.4
[M+Na-2H]-	300.02167	162.9
[M]+	279.04645	175.8
[M]-	279.04755	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe