CID 6436246

Columbianadin

Structural Information

Molecular Formula
C19H20O5
SMILES
C/C=C(/C)\C(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=CC3=C2OC(=O)C=C3
InChI
InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1
InChIKey
JRIBPWOXWIRQOQ-GHAIFCDISA-N
Compound name
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

117
Patents

328.13107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.4
[M+Na]+ 351.12029 183.5
[M-H]- 327.12379 182.3
[M+NH4]+ 346.16489 190.9
[M+K]+ 367.09423 182.8
[M+H-H2O]+ 311.12833 170.2
[M+HCOO]- 373.12927 191.6
[M+CH3COO]- 387.14492 209.6
[M+Na-2H]- 349.10574 179.5
[M]+ 328.13052 181.4
[M]- 328.13162 181.4
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.