CID 71816144

1-(3,5-dimethoxyphenyl)decan-1-one

Structural Information

Molecular Formula
C18H28O3
SMILES
CCCCCCCCCC(=O)C1=CC(=CC(=C1)OC)OC
InChI
InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-11-18(19)15-12-16(20-2)14-17(13-15)21-3/h12-14H,4-11H2,1-3H3
InChIKey
YVSIRBTWQSGOBH-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxyphenyl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.20386 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 172.6
[M+Na]+ 315.19308 183.8
[M+NH4]+ 310.23768 179.2
[M+K]+ 331.16702 176.2
[M-H]- 291.19658 173.8
[M+Na-2H]- 313.17853 176.8
[M]+ 292.20331 174.4
[M]- 292.20441 174.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.