CID 131752315

73188-26-8

Structural Information

Molecular Formula
C10H16S3
SMILES
CC(=CCCC1=CCSSSC1)C
InChI
InChI=1S/C10H16S3/c1-9(2)4-3-5-10-6-7-11-13-12-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKey
SKNZXXPBLPEMIO-UHFFFAOYSA-N
Compound name
5-(4-methylpent-3-enyl)-4,7-dihydrotrithiepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04869 151.7
[M+Na]+ 255.03063 153.0
[M-H]- 231.03413 153.7
[M+NH4]+ 250.07523 167.5
[M+K]+ 271.00457 152.3
[M+H-H2O]+ 215.03867 145.7
[M+HCOO]- 277.03961 154.1
[M+CH3COO]- 291.05526 190.5
[M+Na-2H]- 253.01608 147.9
[M]+ 232.04086 146.1
[M]- 232.04196 146.1
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.