CID 3084412

24099-29-4

Structural Information

Molecular Formula
C17H16O5
SMILES
CC(=CCOC1=C(C2=C(C3=C1OC=C3)OC(=O)C=C2)OC)C
InChI
InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15(19-3)11-4-5-13(18)22-14(11)12-7-9-20-16(12)17/h4-7,9H,8H2,1-3H3
InChIKey
QYROBYWPUVLPTM-UHFFFAOYSA-N
Compound name
5-methoxy-6-(3-methylbut-2-enoxy)furo[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

300.09976 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.9
[M+Na]+ 323.08898 177.4
[M-H]- 299.09248 174.0
[M+NH4]+ 318.13358 183.0
[M+K]+ 339.06292 176.3
[M+H-H2O]+ 283.09702 160.0
[M+HCOO]- 345.09796 188.1
[M+CH3COO]- 359.11361 204.3
[M+Na-2H]- 321.07443 172.0
[M]+ 300.09921 176.2
[M]- 300.10031 176.2
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.