CID 2831166

N,n-dimethyl-1,1-dioxothiolan-3-amine

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CN(C)C1CCS(=O)(=O)C1
InChI
InChI=1S/C6H13NO2S/c1-7(2)6-3-4-10(8,9)5-6/h6H,3-5H2,1-2H3
InChIKey
HHOQXOUQXSMWDD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

43
Patents

163.0667 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07398 134.3
[M+Na]+ 186.05592 142.7
[M+NH4]+ 181.10052 144.2
[M+K]+ 202.02986 136.2
[M-H]- 162.05942 135.6
[M+Na-2H]- 184.04137 139.3
[M]+ 163.06615 136.1
[M]- 163.06725 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe