CID 90942

5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one

Structural Information

Molecular Formula
C17H26O4
SMILES
CCCCCC(CC(=O)CCC1=CC(=C(C=C1)OC)O)O
InChI
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3
InChIKey
LPRPIMHDDACJHT-UHFFFAOYSA-N
Compound name
5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

87
References

229
Patents

294.1831 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.190376 172.5
[M+Na]+ 317.172318 176.9
[M-H]- 293.175824 172.5
[M+NH4]+ 312.216923 186.6
[M+K]+ 333.146258 173.9
[M+H-H2O]+ 277.180360 165.7
[M+HCOO]- 339.181301 190.4
[M+CH3COO]- 353.196951 201.6
[M+Na-2H]- 315.157766 171.5
[M]+ 294.18255142 176.1
[M]- 294.18364858 176.1
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

patents stripe