CID 210825

21709-44-4

Structural Information

Molecular Formula

C₁₂H₁₅NO₂S₂

SMILES

CN(C)C(=O)OC1=CC=CC=C1C2SCCS2

InChI

InChI=1S/C12H15NO2S2/c1-13(2)12(14)15-10-6-4-3-5-9(10)11-16-7-8-17-11/h3-6,11H,7-8H2,1-2H3

InChIKey

GZVHRGJOULANNQ-UHFFFAOYSA-N

Compound name

[2-(1,3-dithiolan-2-yl)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1755
Patents: 269.0544 Da
Monoisotopic Mass: 2.5
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]+	270.06168	160.2
[M+Na]+	292.04362	166.4
[M-H]-	268.04712	167.8
[M+NH4]+	287.08822	179.4
[M+K]+	308.01756	163.7
[M+H-H2O]+	252.05166	153.8
[M+HCOO]-	314.05260	173.4
[M+CH3COO]-	328.06825	197.0
[M+Na-2H]-	290.02907	158.4
[M]+	269.05385	162.4
[M]-	269.05495	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe