CID 10197943

S-methyl-n,n-diethyldithiocarbamate sulfoxide

Structural Information

Molecular Formula
C6H13NOS2
SMILES
CCN(CC)C(=S)S(=O)C
InChI
InChI=1S/C6H13NOS2/c1-4-7(5-2)6(9)10(3)8/h4-5H2,1-3H3
InChIKey
VQRMNXBTDRJEKI-UHFFFAOYSA-N
Compound name
N,N-diethyl-1-methylsulfinylmethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

179.04385 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05113 139.4
[M+Na]+ 202.03307 147.2
[M+NH4]+ 197.07767 147.5
[M+K]+ 218.00701 139.4
[M-H]- 178.03657 139.5
[M+Na-2H]- 200.01852 141.0
[M]+ 179.04330 141.2
[M]- 179.04440 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe