CID 534986

73188-23-5

Structural Information

Molecular Formula
C10H16S2
SMILES
CC(=CCCC1=CCSSC1)C
InChI
InChI=1S/C10H16S2/c1-9(2)4-3-5-10-6-7-11-12-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKey
QQBNLTZXJHZJJD-UHFFFAOYSA-N
Compound name
4-(4-methylpent-3-enyl)-3,6-dihydrodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.06934 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07662 142.1
[M+Na]+ 223.05856 152.4
[M+NH4]+ 218.10316 152.2
[M+K]+ 239.03250 141.6
[M-H]- 199.06206 145.1
[M+Na-2H]- 221.04401 146.6
[M]+ 200.06879 145.4
[M]- 200.06989 145.4
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