CID 3057362

4-(1-(o-chlorophenyl)butyl)morpholine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀ClNO

SMILES

CCCC(C1=CC=CC=C1Cl)N2CCOCC2

InChI

InChI=1S/C14H20ClNO/c1-2-5-14(16-8-10-17-11-9-16)12-6-3-4-7-13(12)15/h3-4,6-7,14H,2,5,8-11H2,1H3

InChIKey

ZVFNJUPFZRWBAA-UHFFFAOYSA-N

Compound name

4-[1-(2-chlorophenyl)butyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.12334 Da
Monoisotopic Mass: 3.3
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]+	254.130616	159.2
[M+Na]+	276.112558	164.1
[M-H]-	252.116064	163.6
[M+NH4]+	271.157163	173.9
[M+K]+	292.086498	160.9
[M+H-H2O]+	236.120600	151.4
[M+HCOO]-	298.121541	171.5
[M+CH3COO]-	312.137191	193.4
[M+Na-2H]-	274.098006	162.5
[M]+	253.12279142	158.2
[M]-	253.12388858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.