CID 97990

3592-66-3

Structural Information

Molecular Formula

C₁₀H₁₃NS

SMILES

C1CNC(SC1)C2=CC=CC=C2

InChI

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

InChIKey

DCEHAYVTEPURRJ-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-thiazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 179.07687 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]+	180.08415	136.3
[M+Na]+	202.06609	141.8
[M-H]-	178.06959	139.6
[M+NH4]+	197.11069	154.5
[M+K]+	218.04003	137.6
[M+H-H2O]+	162.07413	129.5
[M+HCOO]-	224.07507	150.0
[M+CH3COO]-	238.09072	147.8
[M+Na-2H]-	200.05154	140.0
[M]+	179.07632	130.7
[M]-	179.07742	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe