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]+ 263.12778 156.1
[M+Na]+ 285.10972 166.0
[M-H]- 261.11322 162.2
[M+NH4]+ 280.15432 175.4
[M+K]+ 301.08366 165.7
[M+H-H2O]+ 245.11776 150.5
[M+HCOO]- 307.11870 176.3
[M+CH3COO]- 321.13435 199.7
[M+Na-2H]- 283.09517 161.8
[M]+ 262.11995 162.6
[M]- 262.12105 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.