CID 25785

Dtxsid50927531

Structural Information

Molecular Formula
C19H20O5
SMILES
CC(COC(=O)C=C(C)C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3
InChI
InChI=1S/C19H20O5/c1-11(2)6-19(21)22-10-12(3)15-8-14-7-13-4-5-18(20)24-16(13)9-17(14)23-15/h4-7,9,12,15H,8,10H2,1-3H3
InChIKey
FZZIJTGITFAJET-UHFFFAOYSA-N
Compound name
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propyl 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 176.6
[M+Na]+ 351.12029 183.9
[M-H]- 327.12379 183.2
[M+NH4]+ 346.16489 191.8
[M+K]+ 367.09423 183.1
[M+H-H2O]+ 311.12833 170.7
[M+HCOO]- 373.12927 193.3
[M+CH3COO]- 387.14492 210.1
[M+Na-2H]- 349.10574 178.1
[M]+ 328.13052 182.3
[M]- 328.13162 182.3
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

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