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 160.8
[M+Na]+ 281.07842 170.3
[M-H]- 257.08192 163.0
[M+NH4]+ 276.12302 176.2
[M+K]+ 297.05236 166.5
[M+H-H2O]+ 241.08646 148.6
[M+HCOO]- 303.08740 177.3
[M+CH3COO]- 317.10305 198.9
[M+Na-2H]- 279.06387 160.8
[M]+ 258.08865 159.3
[M]- 258.08975 159.3
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.