CID 61287934

4-(4-bromobutyl)morpholine hydrobromide

Structural Information

Molecular Formula

C₈H₁₆BrNO

SMILES

C1COCCN1CCCCBr

InChI

InChI=1S/C8H16BrNO/c9-3-1-2-4-10-5-7-11-8-6-10/h1-8H2

InChIKey

GWQGELINXUPUQN-UHFFFAOYSA-N

Compound name

4-(4-bromobutyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
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]+	222.04881	144.0
[M+Na]+	244.03075	152.1
[M-H]-	220.03425	148.3
[M+NH4]+	239.07535	163.3
[M+K]+	260.00469	143.4
[M+H-H2O]+	204.03879	143.5
[M+HCOO]-	266.03973	160.4
[M+CH3COO]-	280.05538	184.5
[M+Na-2H]-	242.01620	151.5
[M]+	221.04098	160.6
[M]-	221.04208	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe