CID 483516

4-[(2-hydroxy-3-methylbut-3-en-1-yl)oxy]naphtho[2,3-b]furan-7(8h)-one

Structural Information

Molecular Formula
C17H16O4
SMILES
CC(=C)C(COC1=C2C=CC(=O)CC2=CC3=C1C=CO3)O
InChI
InChI=1S/C17H16O4/c1-10(2)15(19)9-21-17-13-4-3-12(18)7-11(13)8-16-14(17)5-6-20-16/h3-6,8,15,19H,1,7,9H2,2H3
InChIKey
ORMQKTROSKJKMC-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-methylbut-3-enoxy)-8H-benzo[f][1]benzofuran-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

284.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11214 163.4
[M+Na]+ 307.09408 172.0
[M-H]- 283.09758 168.6
[M+NH4]+ 302.13868 181.2
[M+K]+ 323.06802 169.1
[M+H-H2O]+ 267.10212 157.7
[M+HCOO]- 329.10306 182.3
[M+CH3COO]- 343.11871 200.0
[M+Na-2H]- 305.07953 166.9
[M]+ 284.10431 167.4
[M]- 284.10541 167.4
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

No patent data available for this compound.