CID 467767

2-isopropenyl-5-methoxy-2,3-dihydro-naphtho[2,3-b]furan-4,9-dione

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC
InChI
InChI=1S/C16H14O4/c1-8(2)12-7-10-14(17)13-9(15(18)16(10)20-12)5-4-6-11(13)19-3/h4-6,12H,1,7H2,2-3H3
InChIKey
WAEDGRZSYHRTMP-UHFFFAOYSA-N
Compound name
5-methoxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.6
[M+Na]+ 293.07842 167.6
[M-H]- 269.08192 164.3
[M+NH4]+ 288.12302 177.1
[M+K]+ 309.05236 164.9
[M+H-H2O]+ 253.08646 152.5
[M+HCOO]- 315.08740 176.7
[M+CH3COO]- 329.10305 201.0
[M+Na-2H]- 291.06387 160.3
[M]+ 270.08865 161.0
[M]- 270.08975 161.0
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.