CID 2818402

35889-70-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₂S

SMILES

CC1=CC=C(C=C1)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C11H15NO2S/c1-9-2-4-10(5-3-9)12-11-6-7-15(13,14)8-11/h2-5,11-12H,6-8H2,1H3

InChIKey

OYIYNRJSSMVTOA-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-1,1-dioxothiolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 225.08235 Da
Monoisotopic Mass: 1.8
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]+	226.08963	148.3
[M+Na]+	248.07157	159.1
[M+NH4]+	243.11617	158.6
[M+K]+	264.04551	150.6
[M-H]-	224.07507	152.1
[M+Na-2H]-	246.05702	156.1
[M]+	225.08180	151.4
[M]-	225.08290	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.