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: 31
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]+	222.048806	141.0
[M+Na]+	244.030748	150.8
[M-H]-	220.034254	146.1
[M+NH4]+	239.075353	162.5
[M+K]+	260.004688	142.4
[M+H-H2O]+	204.038790	141.6
[M+HCOO]-	266.039731	157.4
[M+CH3COO]-	280.055381	185.1
[M+Na-2H]-	242.016196	149.1
[M]+	221.04098142	158.4
[M]-	221.04207858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe