CID 101178

72286-34-1

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

C1CSC(NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H11NOS/c12-9-6-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)

InChIKey

VZWNUWCMQQDYER-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-thiazinan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.05614 Da
Monoisotopic Mass: 1.5
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]+	194.06342	139.3
[M+Na]+	216.04536	145.8
[M-H]-	192.04886	142.9
[M+NH4]+	211.08996	157.0
[M+K]+	232.01930	141.5
[M+H-H2O]+	176.05340	132.6
[M+HCOO]-	238.05434	153.4
[M+CH3COO]-	252.06999	151.0
[M+Na-2H]-	214.03081	142.3
[M]+	193.05559	134.8
[M]-	193.05669	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe