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
1
Annotation Hits

29
References

97
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

literature stripe

Patent stripe

patents stripe