CID 101043342

1956370-51-6

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

C1COCCN1C2=CC=CC(=C2)CBr

InChI

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

InChIKey

HLAQSTCAEQGBFD-UHFFFAOYSA-N

Compound name

4-[3-(bromomethyl)phenyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 255.02588 Da
Monoisotopic Mass: 2.2
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]+	256.033156	150.2
[M+Na]+	278.015098	159.1
[M-H]-	254.018604	157.8
[M+NH4]+	273.059703	168.0
[M+K]+	293.989038	149.5
[M+H-H2O]+	238.023140	149.2
[M+HCOO]-	300.024081	167.1
[M+CH3COO]-	314.039731	163.8
[M+Na-2H]-	276.000546	157.7
[M]+	255.02533142	165.8
[M]-	255.02642858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe