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 163.9
[M+Na]+ 306.05929 170.4
[M-H]- 282.06279 171.7
[M+NH4]+ 301.10389 182.8
[M+K]+ 322.03323 167.5
[M+H-H2O]+ 266.06733 157.5
[M+HCOO]- 328.06827 176.7
[M+CH3COO]- 342.08392 201.1
[M+Na-2H]- 304.04474 161.1
[M]+ 283.06952 166.8
[M]- 283.07062 166.8
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.