CID 11185093

627106-74-5

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

CC(C)(C(=O)OCCN1CCOCC1)Br

InChI

InChI=1S/C10H18BrNO3/c1-10(2,11)9(13)15-8-5-12-3-6-14-7-4-12/h3-8H2,1-2H3

InChIKey

XEXMMWOKORAPHR-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2-bromo-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
Patents: 279.047 Da
Monoisotopic Mass: 1.2
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	157.7
[M+Na]+	302.03622	165.3
[M-H]-	278.03972	162.0
[M+NH4]+	297.08082	174.6
[M+K]+	318.01016	157.1
[M+H-H2O]+	262.04426	157.1
[M+HCOO]-	324.04520	171.5
[M+CH3COO]-	338.06085	193.6
[M+Na-2H]-	300.02167	163.7
[M]+	279.04645	175.8
[M]-	279.04755	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe