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]+ 267.122696 154.8
[M+Na]+ 289.104638 165.0
[M-H]- 265.108144 160.9
[M+NH4]+ 284.149243 174.1
[M+K]+ 305.078578 165.3
[M+H-H2O]+ 249.112680 149.3
[M+HCOO]- 311.113621 174.9
[M+CH3COO]- 325.129271 199.7
[M+Na-2H]- 287.090086 160.9
[M]+ 266.11487142 162.1
[M]- 266.11596858 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.