CID 246775

4-(2-bromoisovaleryl)-morpholine

Structural Information

Molecular Formula

C₉H₁₆BrNO₂

SMILES

CC(C)C(C(=O)N1CCOCC1)Br

InChI

InChI=1S/C9H16BrNO2/c1-7(2)8(10)9(12)11-3-5-13-6-4-11/h7-8H,3-6H2,1-2H3

InChIKey

WRMJBKOESLCMKX-UHFFFAOYSA-N

Compound name

2-bromo-3-methyl-1-morpholin-4-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 249.03644 Da
Monoisotopic Mass: 1.5
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]+	250.04372	151.3
[M+Na]+	272.02566	158.6
[M-H]-	248.02916	155.7
[M+NH4]+	267.07026	169.2
[M+K]+	287.99960	150.6
[M+H-H2O]+	232.03370	150.6
[M+HCOO]-	294.03464	164.9
[M+CH3COO]-	308.05029	190.2
[M+Na-2H]-	270.01111	154.8
[M]+	249.03589	167.0
[M]-	249.03699	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe