CID 13493128

2-benzyl-1lambda6,2-thiazolidine-1,1-dione

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

C1CN(S(=O)(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C10H13NO2S/c12-14(13)8-4-7-11(14)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey

TZKMAPDWYRGEOB-UHFFFAOYSA-N

Compound name

2-benzyl-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.0667 Da
Monoisotopic Mass: 1.1
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]+	212.073976	143.4
[M+Na]+	234.055918	152.5
[M-H]-	210.059424	149.2
[M+NH4]+	229.100523	165.1
[M+K]+	250.029858	149.4
[M+H-H2O]+	194.063960	137.4
[M+HCOO]-	256.064901	161.6
[M+CH3COO]-	270.080551	180.2
[M+Na-2H]-	232.041366	146.4
[M]+	211.06615142	144.2
[M]-	211.06724858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe