CID 98330

1,4-dithiane-2,5-diol

Structural Information

Molecular Formula
C4H8O2S2
SMILES
C1C(SCC(S1)O)O
InChI
InChI=1S/C4H8O2S2/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChIKey
YUIOPHXTILULQC-UHFFFAOYSA-N
Compound name
1,4-dithiane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

3063
Patents

151.99657 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.00385 125.6
[M+Na]+ 174.98579 131.9
[M-H]- 150.98929 126.0
[M+NH4]+ 170.03039 145.8
[M+K]+ 190.95973 128.5
[M+H-H2O]+ 134.99383 121.3
[M+HCOO]- 196.99477 133.8
[M+CH3COO]- 211.01042 166.4
[M+Na-2H]- 172.97124 126.4
[M]+ 151.99602 122.1
[M]- 151.99712 122.1
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