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: 54
Patents: 179.04385 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe