CID 9992755

7,8-dihydroyangonin

Structural Information

Molecular Formula
C15H16O4
SMILES
COC1=CC=C(C=C1)CCC2=CC(=CC(=O)O2)OC
InChI
InChI=1S/C15H16O4/c1-17-12-6-3-11(4-7-12)5-8-13-9-14(18-2)10-15(16)19-13/h3-4,6-7,9-10H,5,8H2,1-2H3
InChIKey
CZCOHVXNUPVUBC-UHFFFAOYSA-N
Compound name
4-methoxy-6-[2-(4-methoxyphenyl)ethyl]pyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

77
Patents

260.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 156.2
[M+Na]+ 283.09408 165.3
[M-H]- 259.09758 164.2
[M+NH4]+ 278.13868 172.0
[M+K]+ 299.06802 164.1
[M+H-H2O]+ 243.10212 148.5
[M+HCOO]- 305.10306 180.4
[M+CH3COO]- 319.11871 196.0
[M+Na-2H]- 281.07953 162.5
[M]+ 260.10431 162.5
[M]- 260.10541 162.5
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