CID 5004199

2-phenylthiomorpholine

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

C1CSC(CN1)C2=CC=CC=C2

InChI

InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2

InChIKey

SRYHBJDVLOEJNP-UHFFFAOYSA-N

Compound name

2-phenylthiomorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 167
Patents: 179.07687 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]+	180.08415	136.7
[M+Na]+	202.06609	149.5
[M+NH4]+	197.11069	147.1
[M+K]+	218.04003	139.9
[M-H]-	178.06959	141.3
[M+Na-2H]-	200.05154	145.1
[M]+	179.07632	140.4
[M]-	179.07742	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe