CID 10451

1,3-dithiane

Structural Information

Molecular Formula
C4H8S2
SMILES
C1CSCSC1
InChI
InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2
InChIKey
WQADWIOXOXRPLN-UHFFFAOYSA-N
Compound name
1,3-dithiane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

54
References

19909
Patents

120.006744 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.01402 118.1
[M+Na]+ 142.99596 128.6
[M+NH4]+ 138.04057 129.4
[M+K]+ 158.96990 118.5
[M-H]- 118.99947 121.6
[M+Na-2H]- 140.98141 123.7
[M]+ 120.00620 121.5
[M]- 120.00729 121.5
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