CID 112773

Ethylmethylthiocarbamic thioanhydride

Structural Information

Molecular Formula

C₈H₁₆N₂S₃

SMILES

CCN(C)C(=S)SC(=S)N(C)CC

InChI

InChI=1S/C8H16N2S3/c1-5-9(3)7(11)13-8(12)10(4)6-2/h5-6H2,1-4H3

InChIKey

LMQXSAPNCIVZSX-UHFFFAOYSA-N

Compound name

[ethyl(methyl)carbamothioyl] N-ethyl-N-methylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.04756 Da
Monoisotopic Mass: 2.4
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]+	237.05484	150.8
[M+Na]+	259.03678	155.1
[M-H]-	235.04028	152.1
[M+NH4]+	254.08138	168.9
[M+K]+	275.01072	151.3
[M+H-H2O]+	219.04482	143.3
[M+HCOO]-	281.04576	156.1
[M+CH3COO]-	295.06141	200.8
[M+Na-2H]-	257.02223	147.5
[M]+	236.04701	152.2
[M]-	236.04811	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe