CID 10452

1,4-dithiane

Structural Information

Molecular Formula
C4H8S2
SMILES
C1CSCCS1
InChI
InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
InChIKey
LOZWAPSEEHRYPG-UHFFFAOYSA-N
Compound name
1,4-dithiane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

103
References

45372
Patents

120.006744 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 118.8
[M+Na]+ 142.99596 124.7
[M-H]- 118.99947 121.7
[M+NH4]+ 138.04057 141.4
[M+K]+ 158.96990 122.7
[M+H-H2O]+ 103.00400 113.9
[M+HCOO]- 165.00494 129.6
[M+CH3COO]- 179.02060 165.7
[M+Na-2H]- 140.98141 121.3
[M]+ 120.00620 115.4
[M]- 120.00729 115.4
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.