CID 131751128

(2e,11z)-5-[5-(methylthio)-4-penten-2-ynyl]-2-furanacrolein

Structural Information

Molecular Formula
C13H12O2S
SMILES
CS/C=C\C#CCC1=CC=C(O1)/C=C\C=O
InChI
InChI=1S/C13H12O2S/c1-16-11-4-2-3-6-12-8-9-13(15-12)7-5-10-14/h4-5,7-11H,6H2,1H3/b7-5-,11-4-
InChIKey
UGVHOJSVUOERFS-QXOCYMRCSA-N
Compound name
(Z)-3-[5-[(Z)-5-methylsulfanylpent-4-en-2-ynyl]furan-2-yl]prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0558 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06308 149.6
[M+Na]+ 255.04502 160.2
[M+NH4]+ 250.08962 153.5
[M+K]+ 271.01896 150.2
[M-H]- 231.04852 143.5
[M+Na-2H]- 253.03047 150.1
[M]+ 232.05525 148.8
[M]- 232.05635 148.8
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

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No patent data available for this compound.