CID 171118721

(4z, 8z)-10-angeloyloxy matricaria lactone

Structural Information

Molecular Formula
C15H14O4
SMILES
C/C=C(/C)\C(=O)OC/C=C\C#C/C=C\1/C=CC(=O)O1
InChI
InChI=1S/C15H14O4/c1-3-12(2)15(17)18-11-7-5-4-6-8-13-9-10-14(16)19-13/h3,5,7-10H,11H2,1-2H3/b7-5-,12-3-,13-8-
InChIKey
PMCQFFPVAIBCII-JDVHQKSOSA-N
Compound name
[(Z,6Z)-6-(5-oxofuran-2-ylidene)hex-2-en-4-ynyl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 161.3
[M+Na]+ 281.07842 170.3
[M-H]- 257.08192 163.3
[M+NH4]+ 276.12302 176.6
[M+K]+ 297.05236 165.9
[M+H-H2O]+ 241.08646 149.3
[M+HCOO]- 303.08740 176.7
[M+CH3COO]- 317.10305 198.0
[M+Na-2H]- 279.06387 160.5
[M]+ 258.08865 157.8
[M]- 258.08975 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.