CID 14540699

(2z,4'z)-2-(5-methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene

Structural Information

Molecular Formula
C13H14O2S
SMILES
CS/C=C\C#C/C=C/1\C=CC2(O1)CCCO2
InChI
InChI=1S/C13H14O2S/c1-16-11-4-2-3-6-12-7-9-13(15-12)8-5-10-14-13/h4,6-7,9,11H,5,8,10H2,1H3/b11-4-,12-6+
InChIKey
SOSDBVUESBQTDG-QFQHGIJPSA-N
Compound name
(2E)-2-[(Z)-5-methylsulfanylpent-4-en-2-ynylidene]-1,6-dioxaspiro[4.4]non-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.07146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07874 149.8
[M+Na]+ 257.06068 159.1
[M+NH4]+ 252.10528 155.8
[M+K]+ 273.03462 149.7
[M-H]- 233.06418 145.5
[M+Na-2H]- 255.04613 150.8
[M]+ 234.07091 149.5
[M]- 234.07201 149.5
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.