CID 134812261

(e)-3-methyl-6-(pent-3-en-1-yn-1-yl)-1,2-dithiine

Structural Information

Molecular Formula
C10H10S2
SMILES
C/C=C/C#CC1=CC=C(SS1)C
InChI
InChI=1S/C10H10S2/c1-3-4-5-6-10-8-7-9(2)11-12-10/h3-4,7-8H,1-2H3/b4-3+
InChIKey
VZBIMBFEZICQSK-ONEGZZNKSA-N
Compound name
3-methyl-6-[(E)-pent-3-en-1-ynyl]dithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02968 145.5
[M+Na]+ 217.01162 156.5
[M-H]- 193.01512 149.0
[M+NH4]+ 212.05622 164.3
[M+K]+ 232.98556 151.1
[M+H-H2O]+ 177.01966 134.8
[M+HCOO]- 239.02060 153.0
[M+CH3COO]- 253.03625 188.5
[M+Na-2H]- 214.99707 145.3
[M]+ 194.02185 141.3
[M]- 194.02295 141.3
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.