CID 57910006

2243513-12-2

Structural Information

Molecular Formula

C₈H₁₆BrNO

SMILES

CC1(COCCN1CCBr)C

InChI

InChI=1S/C8H16BrNO/c1-8(2)7-11-6-5-10(8)4-3-9/h3-7H2,1-2H3

InChIKey

KOMNTJCUYJTVIY-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-3,3-dimethylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 221.04153 Da
Monoisotopic Mass: 1.3
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	141.0
[M+Na]+	244.03075	150.8
[M-H]-	220.03425	146.1
[M+NH4]+	239.07535	162.5
[M+K]+	260.00469	142.4
[M+H-H2O]+	204.03879	141.6
[M+HCOO]-	266.03973	157.4
[M+CH3COO]-	280.05538	185.1
[M+Na-2H]-	242.01620	149.1
[M]+	221.04098	158.4
[M]-	221.04208	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe