CID 24148537

62458-48-4

Structural Information

Molecular Formula
C15H18O4
SMILES
CC(=O)C1=CC(=C2C(=C1OC)C=CC(O2)(C)C)OC
InChI
InChI=1S/C15H18O4/c1-9(16)11-8-12(17-4)14-10(13(11)18-5)6-7-15(2,3)19-14/h6-8H,1-5H3
InChIKey
KDHNUTVJWLXEHG-UHFFFAOYSA-N
Compound name
1-(5,8-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

262.1205 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 156.1
[M+Na]+ 285.109718 166.0
[M-H]- 261.113224 162.2
[M+NH4]+ 280.154323 175.4
[M+K]+ 301.083658 165.7
[M+H-H2O]+ 245.117760 150.5
[M+HCOO]- 307.118701 176.3
[M+CH3COO]- 321.134351 199.7
[M+Na-2H]- 283.095166 161.8
[M]+ 262.11995142 162.6
[M]- 262.12104858 162.6
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

No patent data available for this compound.