CID 61287949

4-(2-bromoethyl)-3-methylmorpholine hydrobromide

Structural Information

Molecular Formula

C₇H₁₄BrNO

SMILES

CC1COCCN1CCBr

InChI

InChI=1S/C7H14BrNO/c1-7-6-10-5-4-9(7)3-2-8/h7H,2-6H2,1H3

InChIKey

WFYJKCWUHCQVDS-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-3-methylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.02588 Da
Monoisotopic Mass: 1.1
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]+	208.033156	139.1
[M+Na]+	230.015098	148.6
[M-H]-	206.018604	144.0
[M+NH4]+	225.059703	159.2
[M+K]+	245.989038	140.0
[M+H-H2O]+	190.023140	139.0
[M+HCOO]-	252.024081	155.8
[M+CH3COO]-	266.039731	182.7
[M+Na-2H]-	228.000546	146.5
[M]+	207.02533142	155.7
[M]-	207.02642858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.