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 141.7
[M+Na]+ 223.05856 147.0
[M-H]- 199.06206 144.3
[M+NH4]+ 218.10316 161.5
[M+K]+ 239.03250 142.9
[M+H-H2O]+ 183.06660 136.0
[M+HCOO]- 245.06754 151.1
[M+CH3COO]- 259.08319 183.2
[M+Na-2H]- 221.04401 140.7
[M]+ 200.06879 140.8
[M]- 200.06989 140.8
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