CID 12832666

Ec 700-045-2

Structural Information

Molecular Formula
C19H30O5
SMILES
CC1=CC(=C(C(=C1C(=O)CCCCCCCCCO)O)OC)OC
InChI
InChI=1S/C19H30O5/c1-14-13-16(23-2)19(24-3)18(22)17(14)15(21)11-9-7-5-4-6-8-10-12-20/h13,20,22H,4-12H2,1-3H3
InChIKey
WBYOLDFLFONXGS-UHFFFAOYSA-N
Compound name
10-hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

338.20932 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21660 182.7
[M+Na]+ 361.19854 188.2
[M-H]- 337.20204 183.0
[M+NH4]+ 356.24314 195.6
[M+K]+ 377.17248 185.0
[M+H-H2O]+ 321.20658 175.7
[M+HCOO]- 383.20752 201.0
[M+CH3COO]- 397.22317 211.3
[M+Na-2H]- 359.18399 180.8
[M]+ 338.20877 189.9
[M]- 338.20987 189.9
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.