CID 67119928

2137573-54-5

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

C1COCCN1C2=CC=C(C=C2)CBr

InChI

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

InChIKey

ZCEPSKGRHOVQCQ-UHFFFAOYSA-N

Compound name

4-[4-(bromomethyl)phenyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 255.02588 Da
Monoisotopic Mass: 1.9
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

No literature data available for this compound.

Patent stripe

patents stripe