CID 14135678

Exo-dehydrochalepin

Structural Information

Molecular Formula
C19H20O3
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C
InChI
InChI=1S/C19H20O3/c1-6-19(4,5)14-8-12-7-13-9-15(11(2)3)21-16(13)10-17(12)22-18(14)20/h6-8,10,15H,1-2,9H2,3-5H3
InChIKey
VSCRFQYWCSFUIR-UHFFFAOYSA-N
Compound name
6-(2-methylbut-3-en-2-yl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14124 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.1
[M+Na]+ 319.13046 178.6
[M-H]- 295.13396 176.2
[M+NH4]+ 314.17506 186.3
[M+K]+ 335.10440 175.9
[M+H-H2O]+ 279.13850 164.2
[M+HCOO]- 341.13944 185.9
[M+CH3COO]- 355.15509 206.9
[M+Na-2H]- 317.11591 173.2
[M]+ 296.14069 173.2
[M]- 296.14179 173.2
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.