CID 28946202

1616403-02-1

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: 25
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]+	212.083666	145.2
[M+Na]+	234.065608	151.8
[M-H]-	210.069114	150.1
[M+NH4]+	229.110213	161.8
[M+K]+	250.039548	148.8
[M+H-H2O]+	194.073650	137.9
[M+HCOO]-	256.074591	159.6
[M+CH3COO]-	270.090241	157.2
[M+Na-2H]-	232.051056	151.4
[M]+	211.07584142	143.8
[M]-	211.07693858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe