CID 160544

4-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C
InChI
InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3
InChIKey
QTAGQHZOLRFCBU-UHFFFAOYSA-N
Compound name
4-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

62
References

1222
Patents

286.08414 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 160.3
[M+Na]+ 309.073358 174.9
[M-H]- 285.076864 173.0
[M+NH4]+ 304.117963 173.8
[M+K]+ 325.047298 175.1
[M+H-H2O]+ 269.081400 154.7
[M+HCOO]- 331.082341 181.5
[M+CH3COO]- 345.097991 175.1
[M+Na-2H]- 307.058806 169.7
[M]+ 286.08359142 173.6
[M]- 286.08468858 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

patents stripe