CID 9079182

67804-53-9

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C9H12N2O2S/c10-8-3-1-4-9(7-8)11-5-2-6-14(11,12)13/h1,3-4,7H,2,5-6,10H2

InChIKey

MACVOXCGYYWJRP-UHFFFAOYSA-N

Compound name

3-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.06195 Da
Monoisotopic Mass: 0.5
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]+	213.06923	143.6
[M+Na]+	235.05117	154.2
[M+NH4]+	230.09577	153.1
[M+K]+	251.02511	146.7
[M-H]-	211.05467	146.4
[M+Na-2H]-	233.03662	150.9
[M]+	212.06140	146.3
[M]-	212.06250	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe