CID 524171

3-acetyl-1,2-dithiolane

Structural Information

Molecular Formula
C5H8OS2
SMILES
CC(=O)C1CCSS1
InChI
InChI=1S/C5H8OS2/c1-4(6)5-2-3-7-8-5/h5H,2-3H2,1H3
InChIKey
OEBJHVCWENCTLE-UHFFFAOYSA-N
Compound name
1-(dithiolan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

148.00166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00894 129.0
[M+Na]+ 170.99088 136.6
[M-H]- 146.99438 132.6
[M+NH4]+ 166.03548 152.6
[M+K]+ 186.96482 134.7
[M+H-H2O]+ 130.99892 124.5
[M+HCOO]- 192.99986 141.0
[M+CH3COO]- 207.01551 171.2
[M+Na-2H]- 168.97633 127.9
[M]+ 148.00111 128.9
[M]- 148.00221 128.9
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.