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 152.0
[M+Na]+ 229.02937 163.4
[M-H]- 205.03287 155.3
[M+NH4]+ 224.07397 171.7
[M+K]+ 245.00331 159.1
[M+H-H2O]+ 189.03741 140.8
[M+HCOO]- 251.03835 166.0
[M+CH3COO]- 265.05400 189.3
[M+Na-2H]- 227.01482 151.0
[M]+ 206.03960 150.4
[M]- 206.04070 150.4
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

No patent data available for this compound.