CID 132342054

2-methanesulfonyl-2-methylpropanethioamide

Structural Information

Molecular Formula
C5H11NO2S2
SMILES
CC(C)(C(=S)N)S(=O)(=O)C
InChI
InChI=1S/C5H11NO2S2/c1-5(2,4(6)9)10(3,7)8/h1-3H3,(H2,6,9)
InChIKey
WOCIUJHUPDXLEA-UHFFFAOYSA-N
Compound name
2-methyl-2-methylsulfonylpropanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02312 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03040 136.9
[M+Na]+ 204.01234 144.0
[M-H]- 180.01584 136.5
[M+NH4]+ 199.05694 156.4
[M+K]+ 219.98628 140.8
[M+H-H2O]+ 164.02038 132.0
[M+HCOO]- 226.02132 146.5
[M+CH3COO]- 240.03697 179.8
[M+Na-2H]- 201.99779 138.2
[M]+ 181.02257 137.4
[M]- 181.02367 137.4
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

No patent data available for this compound.