CID 21444292

2-benzylthiomorpholine

Structural Information

Molecular Formula

C₁₁H₁₅NS

SMILES

C1CSC(CN1)CC2=CC=CC=C2

InChI

InChI=1S/C11H15NS/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2

InChIKey

IIMUARVOSAPLDJ-UHFFFAOYSA-N

Compound name

2-benzylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 193.09251 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]+	194.099786	140.7
[M+Na]+	216.081728	145.6
[M-H]-	192.085234	143.7
[M+NH4]+	211.126333	158.2
[M+K]+	232.055668	141.2
[M+H-H2O]+	176.089770	133.6
[M+HCOO]-	238.090711	154.0
[M+CH3COO]-	252.106361	151.7
[M+Na-2H]-	214.067176	143.9
[M]+	193.09196142	135.4
[M]-	193.09305858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe