CID 100375

62442-60-8

Structural Information

Molecular Formula
C16H16O4
SMILES
CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)COC)C
InChI
InChI=1S/C16H16O4/c1-8-5-14(17)20-15-9(2)16-12(6-11(8)15)13(7-18-4)10(3)19-16/h5-6H,7H2,1-4H3
InChIKey
UPAKHQWBZFCLMG-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

272.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 158.5
[M+Na]+ 295.09408 172.4
[M-H]- 271.09758 167.4
[M+NH4]+ 290.13868 177.7
[M+K]+ 311.06802 171.1
[M+H-H2O]+ 255.10212 153.3
[M+HCOO]- 317.10306 181.6
[M+CH3COO]- 331.11871 202.2
[M+Na-2H]- 293.07953 164.9
[M]+ 272.10431 169.3
[M]- 272.10541 169.3
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

patents stripe