CID 28946202

4-[4-(chloromethyl)phenyl]morpholine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1COCCN1C2=CC=C(C=C2)CCl

InChI

InChI=1S/C11H14ClNO/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9H2

InChIKey

VXXBDVPJUQJQIS-UHFFFAOYSA-N

Compound name

4-[4-(chloromethyl)phenyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 211.07639 Da
Monoisotopic Mass: 1.7
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]+	212.08367	144.9
[M+Na]+	234.06561	159.7
[M+NH4]+	229.11021	154.7
[M+K]+	250.03955	151.6
[M-H]-	210.06911	150.6
[M+Na-2H]-	232.05106	153.3
[M]+	211.07584	149.1
[M]-	211.07694	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe