CID 289242

Nsc150927

Structural Information

Molecular Formula
C10H16O2S4
SMILES
C1CSC(SC1)C(C2(SCCCS2)C=O)O
InChI
InChI=1S/C10H16O2S4/c11-7-10(15-5-2-6-16-10)8(12)9-13-3-1-4-14-9/h7-9,12H,1-6H2
InChIKey
WXWPFALNLAQILY-UHFFFAOYSA-N
Compound name
2-[1,3-dithian-2-yl(hydroxy)methyl]-1,3-dithiane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.00333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01061 162.0
[M+Na]+ 318.99255 163.9
[M-H]- 294.99605 161.8
[M+NH4]+ 314.03715 176.6
[M+K]+ 334.96649 156.4
[M+H-H2O]+ 279.00059 157.0
[M+HCOO]- 341.00153 155.1
[M+CH3COO]- 355.01718 167.9
[M+Na-2H]- 316.97800 162.2
[M]+ 296.00278 153.0
[M]- 296.00388 153.0
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.