CID 49117

Carbamic acid, dimethyldithio-, tert-butylsulfinyl ester

Structural Information

Molecular Formula

C₇H₁₅NOS₃

SMILES

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

InChI

InChI=1S/C7H15NOS3/c1-7(2,3)12(9)11-6(10)8(4)5/h1-5H3

InChIKey

FTMZYNDRRDVWOO-UHFFFAOYSA-N

Compound name

tert-butylsulfinyl N,N-dimethylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 225.03157 Da
Monoisotopic Mass: 1.2
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]+	226.038846	147.6
[M+Na]+	248.020788	153.0
[M-H]-	224.024294	148.0
[M+NH4]+	243.065393	165.9
[M+K]+	263.994728	149.1
[M+H-H2O]+	208.028830	141.3
[M+HCOO]-	270.029771	151.1
[M+CH3COO]-	284.045421	192.9
[M+Na-2H]-	246.006236	145.5
[M]+	225.03102142	149.2
[M]-	225.03211858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe