CID 131751104

Methyl (z)-3-[5-[(z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate

Structural Information

Molecular Formula
C15H14O4
SMILES
CC/C=C\C#CC(=O)C1=CC=C(O1)/C=C\C(=O)OC
InChI
InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9-
InChIKey
NQZCQIDFBYCBAU-JXWPTCDWSA-N
Compound name
methyl (Z)-3-[5-[(Z)-hept-4-en-2-ynoyl]furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 158.7
[M+Na]+ 281.07842 168.1
[M+NH4]+ 276.12302 160.5
[M+K]+ 297.05236 161.6
[M-H]- 257.08192 150.7
[M+Na-2H]- 279.06387 157.8
[M]+ 258.08865 156.6
[M]- 258.08975 156.6
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.