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]+ 273.148516 161.2
[M+Na]+ 295.130458 171.6
[M-H]- 271.133964 167.4
[M+NH4]+ 290.175063 178.5
[M+K]+ 311.104398 169.2
[M+H-H2O]+ 255.138500 154.9
[M+HCOO]- 317.139441 182.1
[M+CH3COO]- 331.155091 203.6
[M+Na-2H]- 293.115906 164.7
[M]+ 272.14069142 167.6
[M]- 272.14178858 167.6
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.