CID 10912402

5,8-dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin

Structural Information

Molecular Formula
C10H16S4
SMILES
CC(=CCC/C/1=C/CSSSSC1)C
InChI
InChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-
InChIKey
OKRAIIIRDYCGGZ-POHAHGRESA-N
Compound name
(6Z)-6-(4-methylpent-3-enyl)-5,8-dihydrotetrathiocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.02078 146.0
[M+Na]+ 287.00272 150.0
[M-H]- 263.00622 146.6
[M+NH4]+ 282.04732 153.4
[M+K]+ 302.97666 147.4
[M+H-H2O]+ 247.01076 142.7
[M+HCOO]- 309.01170 145.3
[M+CH3COO]- 323.02735 149.6
[M+Na-2H]- 284.98817 144.0
[M]+ 264.01295 144.1
[M]- 264.01405 144.1
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

No patent data available for this compound.