CID 783204

6425-43-0

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1COCCN1CC2=CC=C(C=C2)Cl

InChI

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

InChIKey

AVKDDYGWEOMOGJ-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenyl)methyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 17
Patents: 211.07639 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]+	212.08367	145.2
[M+Na]+	234.06561	151.8
[M-H]-	210.06911	150.1
[M+NH4]+	229.11021	161.8
[M+K]+	250.03955	148.8
[M+H-H2O]+	194.07365	137.9
[M+HCOO]-	256.07459	159.6
[M+CH3COO]-	270.09024	157.2
[M+Na-2H]-	232.05106	151.4
[M]+	211.07584	143.8
[M]-	211.07694	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe