CID 53316971

5-(((2s)-3,3-dimethyloxiran-2-yl)methoxy)furo(3,2-g)chromen-7-one

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1([C@@H](O1)COC2=CC(=O)OC3=C2C=C4C=COC4=C3)C
InChI
InChI=1S/C16H14O5/c1-16(2)14(21-16)8-19-12-7-15(17)20-13-6-11-9(3-4-18-11)5-10(12)13/h3-7,14H,8H2,1-2H3/t14-/m0/s1
InChIKey
NUCBCBCPICFGMZ-AWEZNQCLSA-N
Compound name
5-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.3
[M+Na]+ 309.07336 174.9
[M-H]- 285.07686 173.0
[M+NH4]+ 304.11796 173.8
[M+K]+ 325.04730 175.1
[M+H-H2O]+ 269.08140 154.7
[M+HCOO]- 331.08234 181.5
[M+CH3COO]- 345.09799 175.1
[M+Na-2H]- 307.05881 169.7
[M]+ 286.08359 173.6
[M]- 286.08469 173.6
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.