CID 101415119

Methyl (z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate

Structural Information

Molecular Formula
C11H10O2S
SMILES
CC1=CC=C(S1)C#C/C=C/C(=O)OC
InChI
InChI=1S/C11H10O2S/c1-9-7-8-10(14-9)5-3-4-6-11(12)13-2/h4,6-8H,1-2H3/b6-4+
InChIKey
OZOCRDZZSOSJCJ-GQCTYLIASA-N
Compound name
methyl (E)-5-(5-methylthiophen-2-yl)pent-2-en-4-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.04015 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04743 141.2
[M+Na]+ 229.02937 151.6
[M+NH4]+ 224.07397 145.7
[M+K]+ 245.00331 142.6
[M-H]- 205.03287 134.1
[M+Na-2H]- 227.01482 142.5
[M]+ 206.03960 140.1
[M]- 206.04070 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.