CID 29494

Carbamic acid, dimethyldithio-, acetonyl ester

Structural Information

Molecular Formula
C6H11NOS2
SMILES
CC(=O)CSC(=S)N(C)C
InChI
InChI=1S/C6H11NOS2/c1-5(8)4-10-6(9)7(2)3/h4H2,1-3H3
InChIKey
OYUFLGHVVZZHLL-UHFFFAOYSA-N
Compound name
2-oxopropyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.02821 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.03549 139.1
[M+Na]+ 200.01743 146.9
[M+NH4]+ 195.06203 147.2
[M+K]+ 215.99137 139.1
[M-H]- 176.02093 139.2
[M+Na-2H]- 198.00288 140.7
[M]+ 177.02766 140.9
[M]- 177.02876 140.9
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