CID 64995835

4-(3-bromo-2-methylpropyl)morpholine hydrobromide

Structural Information

Molecular Formula

C₈H₁₆BrNO

SMILES

CC(CN1CCOCC1)CBr

InChI

InChI=1S/C8H16BrNO/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-7H2,1H3

InChIKey

KBQXRUZLEXZYBY-UHFFFAOYSA-N

Compound name

4-(3-bromo-2-methylpropyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.04153 Da
Monoisotopic Mass: 1.4
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]+	222.048806	144.9
[M+Na]+	244.030748	152.7
[M-H]-	220.034254	149.2
[M+NH4]+	239.075353	164.0
[M+K]+	260.004688	144.3
[M+H-H2O]+	204.038790	144.3
[M+HCOO]-	266.039731	160.3
[M+CH3COO]-	280.055381	185.2
[M+Na-2H]-	242.016196	151.1
[M]+	221.04098142	160.8
[M]-	221.04207858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.