CID 116445645

3-(bromomethyl)-4-methylmorpholine hydrobromide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CN1CCOCC1CBr

InChI

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

InChIKey

IYMCQHGVRHEVCV-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-4-methylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	194.01750	134.5
[M+Na]+	215.99944	144.3
[M-H]-	192.00294	139.5
[M+NH4]+	211.04404	155.1
[M+K]+	231.97338	136.0
[M+H-H2O]+	176.00748	134.5
[M+HCOO]-	238.00842	151.5
[M+CH3COO]-	252.02407	179.8
[M+Na-2H]-	213.98489	142.5
[M]+	193.00967	150.7
[M]-	193.01077	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.