CID 70291410

2-(bromomethyl)-4-methylmorpholine hydrobromide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CN1CCOC(C1)CBr

InChI

InChI=1S/C6H12BrNO/c1-8-2-3-9-6(4-7)5-8/h6H,2-5H2,1H3

InChIKey

LIUWLIFTXFJWQB-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-4-methylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.01022 Da
Monoisotopic Mass: 0.7
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]+	194.017496	134.5
[M+Na]+	215.999438	144.3
[M-H]-	192.002944	139.5
[M+NH4]+	211.044043	155.1
[M+K]+	231.973378	136.0
[M+H-H2O]+	176.007480	134.5
[M+HCOO]-	238.008421	151.5
[M+CH3COO]-	252.024071	179.8
[M+Na-2H]-	213.984886	142.5
[M]+	193.00967142	150.7
[M]-	193.01076858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe