CID 853027

3,4,8-trimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2h-chromen-2-one

Structural Information

Molecular Formula
C17H20O3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC=C(C)C)C
InChI
InChI=1S/C17H20O3/c1-10(2)8-9-19-15-7-6-14-11(3)12(4)17(18)20-16(14)13(15)5/h6-8H,9H2,1-5H3
InChIKey
OSAYVGADUFMSOQ-UHFFFAOYSA-N
Compound name
3,4,8-trimethyl-7-(3-methylbut-2-enoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14124 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 161.9
[M+Na]+ 295.13046 176.9
[M+NH4]+ 290.17506 169.7
[M+K]+ 311.10440 169.8
[M-H]- 271.13396 165.7
[M+Na-2H]- 293.11591 166.7
[M]+ 272.14069 165.2
[M]- 272.14179 165.2
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.