CID 53903022

Schembl6873685

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 154.4
[M+Na]+ 269.11482 162.8
[M-H]- 245.11832 159.6
[M+NH4]+ 264.15942 171.9
[M+K]+ 285.08876 160.7
[M+H-H2O]+ 229.12286 147.5
[M+HCOO]- 291.12380 176.8
[M+CH3COO]- 305.13945 194.4
[M+Na-2H]- 267.10027 162.1
[M]+ 246.12505 160.2
[M]- 246.12615 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.