CID 4130927

5,7,8-trimethoxy-2,2-dimethylchroman-4-one

Structural Information

Molecular Formula
C14H18O5
SMILES
CC1(CC(=O)C2=C(O1)C(=C(C=C2OC)OC)OC)C
InChI
InChI=1S/C14H18O5/c1-14(2)7-8(15)11-9(16-3)6-10(17-4)12(18-5)13(11)19-14/h6H,7H2,1-5H3
InChIKey
MIQAVZNJGICWJG-UHFFFAOYSA-N
Compound name
5,7,8-trimethoxy-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 156.8
[M+Na]+ 289.10464 170.0
[M+NH4]+ 284.14924 165.7
[M+K]+ 305.07858 162.8
[M-H]- 265.10814 159.7
[M+Na-2H]- 287.09009 161.9
[M]+ 266.11487 159.7
[M]- 266.11597 159.7
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.