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
2
Annotation Hits

0
References

55
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 136.4
[M+Na]+ 202.03307 142.6
[M-H]- 178.03657 137.9
[M+NH4]+ 197.07767 157.2
[M+K]+ 218.00701 140.9
[M+H-H2O]+ 162.04111 130.5
[M+HCOO]- 224.04205 148.2
[M+CH3COO]- 238.05770 184.8
[M+Na-2H]- 200.01852 135.0
[M]+ 179.04330 139.3
[M]- 179.04440 139.3
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.