CID 95447662

2839128-65-1

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

C1COC[C@@H](N1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H14ClNO2/c12-9-1-3-11(4-2-9)15-8-10-7-14-6-5-13-10/h1-4,10,13H,5-8H2/t10-/m1/s1

InChIKey

RXMMCVACESECCS-SNVBAGLBSA-N

Compound name

(3R)-3-[(4-chlorophenoxy)methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 1.8
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]+	228.078576	148.4
[M+Na]+	250.060518	154.4
[M-H]-	226.064024	151.9
[M+NH4]+	245.105123	163.5
[M+K]+	266.034458	151.1
[M+H-H2O]+	210.068560	141.2
[M+HCOO]-	272.069501	161.5
[M+CH3COO]-	286.085151	183.0
[M+Na-2H]-	248.045966	154.1
[M]+	227.07075142	146.6
[M]-	227.07184858	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.