CID 526930

1,2-dithiolan-4-one, 3,5-dimethyl-

Structural Information

Molecular Formula
C5H8OS2
SMILES
CC1C(=O)C(SS1)C
InChI
InChI=1S/C5H8OS2/c1-3-5(6)4(2)8-7-3/h3-4H,1-2H3
InChIKey
DYTKSLFUSUKZJN-UHFFFAOYSA-N
Compound name
3,5-dimethyldithiolan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.00166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00894 129.5
[M+Na]+ 170.99088 139.3
[M+NH4]+ 166.03548 139.5
[M+K]+ 186.96482 131.6
[M-H]- 146.99438 131.5
[M+Na-2H]- 168.97633 132.2
[M]+ 148.00111 132.3
[M]- 148.00221 132.3
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

No patent data available for this compound.