CID 783082

4-(3-bromobenzyl)morpholine

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

C1COCCN1CC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H14BrNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2

InChIKey

DQGAMPWGTUCNGP-UHFFFAOYSA-N

Compound name

4-[(3-bromophenyl)methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 136
Patents: 255.02588 Da
Monoisotopic Mass: 2.1
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]+	256.03316	150.2
[M+Na]+	278.01510	159.1
[M-H]-	254.01860	157.8
[M+NH4]+	273.05970	168.0
[M+K]+	293.98904	149.5
[M+H-H2O]+	238.02314	149.2
[M+HCOO]-	300.02408	167.1
[M+CH3COO]-	314.03973	163.8
[M+Na-2H]-	276.00055	157.7
[M]+	255.02533	165.8
[M]-	255.02643	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe