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

28
Patents

204.09325 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.100526 147.3
[M+Na]+ 227.082468 152.4
[M-H]- 203.085974 148.4
[M+NH4]+ 222.127073 166.6
[M+K]+ 243.056408 152.4
[M+H-H2O]+ 187.090510 141.5
[M+HCOO]- 249.091451 163.9
[M+CH3COO]- 263.107101 191.7
[M+Na-2H]- 225.067916 147.3
[M]+ 204.09270142 149.3
[M]- 204.09379858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe