CID 208573

3-oxo-2-phenylbutyl dimethylcarbamodithioate

Structural Information

Molecular Formula
C13H17NOS2
SMILES
CC(=O)C(CSC(=S)N(C)C)C1=CC=CC=C1
InChI
InChI=1S/C13H17NOS2/c1-10(15)12(9-17-13(16)14(2)3)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey
VOSKYFMOECEZHZ-UHFFFAOYSA-N
Compound name
(3-oxo-2-phenylbutyl) N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.07516 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08244 159.2
[M+Na]+ 290.06438 168.2
[M+NH4]+ 285.10898 167.4
[M+K]+ 306.03832 159.4
[M-H]- 266.06788 161.6
[M+Na-2H]- 288.04983 163.6
[M]+ 267.07461 161.9
[M]- 267.07571 161.9
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

patents stripe