CID 47087

Usaf t-11

Structural Information

Molecular Formula
C12H15NO2S2
SMILES
CN(CC1=CC=CC=C1)C(=S)SCC(=O)OC
InChI
InChI=1S/C12H15NO2S2/c1-13(8-10-6-4-3-5-7-10)12(16)17-9-11(14)15-2/h3-7H,8-9H2,1-2H3
InChIKey
WALPFCHWMYDJPG-UHFFFAOYSA-N
Compound name
methyl 2-[benzyl(methyl)carbamothioyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0544 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06168 158.5
[M+Na]+ 292.04362 167.7
[M+NH4]+ 287.08822 166.5
[M+K]+ 308.01756 158.7
[M-H]- 268.04712 160.7
[M+Na-2H]- 290.02907 163.0
[M]+ 269.05385 161.2
[M]- 269.05495 161.2
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.