CID 3050842

Morpholine, 4-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO₄S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCN2CCOCC2

InChI

InChI=1S/C13H19NO4S/c1-17-12-2-4-13(5-3-12)19(15,16)11-8-14-6-9-18-10-7-14/h2-5H,6-11H2,1H3

InChIKey

MWHFZRUGWLQHGY-UHFFFAOYSA-N

Compound name

4-[2-(4-methoxyphenyl)sulfonylethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.1035 Da
Monoisotopic Mass: 0.8
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]+	286.110776	162.6
[M+Na]+	308.092718	168.4
[M-H]-	284.096224	167.9
[M+NH4]+	303.137323	175.9
[M+K]+	324.066658	166.8
[M+H-H2O]+	268.100760	154.9
[M+HCOO]-	330.101701	175.7
[M+CH3COO]-	344.117351	194.7
[M+Na-2H]-	306.078166	166.5
[M]+	285.10295142	164.6
[M]-	285.10404858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe