CID 5320515

7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC
InChI
InChI=1S/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3
InChIKey
YTDNHMHONBWCBV-UHFFFAOYSA-N
Compound name
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

258.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.096476 155.7
[M+Na]+ 281.078418 167.8
[M-H]- 257.081924 166.4
[M+NH4]+ 276.123023 167.0
[M+K]+ 297.052358 166.4
[M+H-H2O]+ 241.086460 148.5
[M+HCOO]- 303.087401 176.4
[M+CH3COO]- 317.103051 200.6
[M+Na-2H]- 279.063866 161.9
[M]+ 258.08865142 164.1
[M]- 258.08974858 164.1
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