CID 538432

Deoxysericealactone

Structural Information

Molecular Formula
C16H20O4
SMILES
CC1=C2CC(C(CC2OC1=O)(C)C=C)C(=C)C(=O)OC
InChI
InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3
InChIKey
ODNZGWQSPYLHGS-UHFFFAOYSA-N
Compound name
methyl 2-(6-ethenyl-3,6-dimethyl-2-oxo-4,5,7,7a-tetrahydro-1-benzofuran-5-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13617 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.143446 160.8
[M+Na]+ 299.125388 168.7
[M-H]- 275.128894 165.8
[M+NH4]+ 294.169993 180.9
[M+K]+ 315.099328 166.8
[M+H-H2O]+ 259.133430 157.0
[M+HCOO]- 321.134371 177.9
[M+CH3COO]- 335.150021 201.3
[M+Na-2H]- 297.110836 160.9
[M]+ 276.13562142 162.6
[M]- 276.13671858 162.6
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.