CID 3681687

3-(4-methoxyphenyl)thiomorpholine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅NOS

SMILES

COC1=CC=C(C=C1)C2CSCCN2

InChI

InChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11/h2-5,11-12H,6-8H2,1H3

InChIKey

UZOTYVRGKFWQDG-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)thiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 209.08743 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]+	210.094706	144.4
[M+Na]+	232.076648	150.1
[M-H]-	208.080154	147.7
[M+NH4]+	227.121253	161.5
[M+K]+	248.050588	146.1
[M+H-H2O]+	192.084690	137.3
[M+HCOO]-	254.085631	157.9
[M+CH3COO]-	268.101281	155.6
[M+Na-2H]-	230.062096	146.9
[M]+	209.08688142	140.9
[M]-	209.08797858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe