CID 380490

Nsc666105

Structural Information

Molecular Formula
C17H20O4
SMILES
CC1=C(C=CC2=C1C(=O)C(=C(O2)OC)CC=C(C)C)OC
InChI
InChI=1S/C17H20O4/c1-10(2)6-7-12-16(18)15-11(3)13(19-4)8-9-14(15)21-17(12)20-5/h6,8-9H,7H2,1-5H3
InChIKey
RDQCIBRHDHBRRY-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-5-methyl-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 164.5
[M+Na]+ 311.12539 174.7
[M-H]- 287.12889 170.6
[M+NH4]+ 306.16999 181.0
[M+K]+ 327.09933 172.9
[M+H-H2O]+ 271.13343 157.9
[M+HCOO]- 333.13437 185.5
[M+CH3COO]- 347.15002 205.8
[M+Na-2H]- 309.11084 168.0
[M]+ 288.13562 172.3
[M]- 288.13672 172.3
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.