CID 4130927

100972-76-7

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 154.8
[M+Na]+ 289.10464 165.0
[M-H]- 265.10814 160.9
[M+NH4]+ 284.14924 174.1
[M+K]+ 305.07858 165.3
[M+H-H2O]+ 249.11268 149.3
[M+HCOO]- 311.11362 174.9
[M+CH3COO]- 325.12927 199.7
[M+Na-2H]- 287.09009 160.9
[M]+ 266.11487 162.1
[M]- 266.11597 162.1
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.