CID 353503

Nsc601988

Structural Information

Molecular Formula
C17H18O6
SMILES
CCOC(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OCC
InChI
InChI=1S/C17H18O6/c1-3-19-14(20-4-2)10-22-17-15-12(7-8-21-15)9-11-5-6-13(18)23-16(11)17/h5-9,14H,3-4,10H2,1-2H3
InChIKey
USBOSBGPENWJQQ-UHFFFAOYSA-N
Compound name
9-(2,2-diethoxyethoxy)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11035 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11763 169.5
[M+Na]+ 341.09957 179.4
[M-H]- 317.10307 177.1
[M+NH4]+ 336.14417 185.4
[M+K]+ 357.07351 179.6
[M+H-H2O]+ 301.10761 163.0
[M+HCOO]- 363.10855 191.6
[M+CH3COO]- 377.12420 206.5
[M+Na-2H]- 339.08502 176.4
[M]+ 318.10980 181.6
[M]- 318.11090 181.6
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.