CID 72602

Carbamo(dithioperoxo)thioic acid, n,n-dimethyl-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula

C₇H₁₅NS₃

SMILES

CC(C)(C)SSC(=S)N(C)C

InChI

InChI=1S/C7H15NS3/c1-7(2,3)11-10-6(9)8(4)5/h1-5H3

InChIKey

RZRJACCZWZTYJY-UHFFFAOYSA-N

Compound name

tert-butylsulfanyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 93
Patents: 209.03667 Da
Monoisotopic Mass: 2.3
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]+	210.04395	143.9
[M+Na]+	232.02589	149.7
[M-H]-	208.02939	144.4
[M+NH4]+	227.07049	163.2
[M+K]+	247.99983	145.7
[M+H-H2O]+	192.03393	137.7
[M+HCOO]-	254.03487	148.2
[M+CH3COO]-	268.05052	191.1
[M+Na-2H]-	230.01134	142.4
[M]+	209.03612	145.4
[M]-	209.03722	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe