CID 211074

22212-93-7

Structural Information

Molecular Formula
C13H17NO2S2
SMILES
CC1CSC(S1)C2=CC=CC=C2OC(=O)N(C)C
InChI
InChI=1S/C13H17NO2S2/c1-9-8-17-12(18-9)10-6-4-5-7-11(10)16-13(15)14(2)3/h4-7,9,12H,8H2,1-3H3
InChIKey
SKUDHUFZLCESCE-UHFFFAOYSA-N
Compound name
[2-(4-methyl-1,3-dithiolan-2-yl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07735 161.9
[M+Na]+ 306.05929 171.1
[M+NH4]+ 301.10389 170.9
[M+K]+ 322.03323 163.6
[M-H]- 282.06279 166.1
[M+Na-2H]- 304.04474 166.8
[M]+ 283.06952 165.2
[M]- 283.07062 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.