CID 54592561

218944-58-2

Structural Information

Molecular Formula

C₈H₁₆N₂O₂S

SMILES

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

InChI

InChI=1S/C8H16N2O2S/c1-8(2,3)12-7(11)10(4)5-6(9)13/h5H2,1-4H3,(H2,9,13)

InChIKey

KYZYVGBBYFHROZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-amino-2-sulfanylideneethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 204.09325 Da
Monoisotopic Mass: 0.7
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]+	205.10053	147.3
[M+Na]+	227.08247	152.4
[M-H]-	203.08597	148.4
[M+NH4]+	222.12707	166.6
[M+K]+	243.05641	152.4
[M+H-H2O]+	187.09051	141.5
[M+HCOO]-	249.09145	163.9
[M+CH3COO]-	263.10710	191.7
[M+Na-2H]-	225.06792	147.3
[M]+	204.09270	149.3
[M]-	204.09380	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe