CID 53903022

Schembl14329530

Structural Information

Molecular Formula
C15H18O3
SMILES
CCCCCCOC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C15H18O3/c1-2-3-4-5-10-17-13-8-6-12-7-9-15(16)18-14(12)11-13/h6-9,11H,2-5,10H2,1H3
InChIKey
HYKWMZVCUBUWMM-UHFFFAOYSA-N
Compound name
7-hexoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

246.1256 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 154.3
[M+Na]+ 269.11482 168.9
[M+NH4]+ 264.15942 162.8
[M+K]+ 285.08876 161.0
[M-H]- 245.11832 158.5
[M+Na-2H]- 267.10027 160.7
[M]+ 246.12505 157.7
[M]- 246.12615 157.7
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