CID 49778007

1-(3,5-dihydroxyphenyl)nonan-1-one

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCCCC(=O)C1=CC(=CC(=C1)O)O
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-15(18)12-9-13(16)11-14(17)10-12/h9-11,16-17H,2-8H2,1H3
InChIKey
JMZDDMHWIVWMCV-UHFFFAOYSA-N
Compound name
1-(3,5-dihydroxyphenyl)nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 160.2
[M+Na]+ 273.146108 165.9
[M-H]- 249.149614 160.6
[M+NH4]+ 268.190713 176.3
[M+K]+ 289.120048 162.3
[M+H-H2O]+ 233.154150 154.1
[M+HCOO]- 295.155091 179.6
[M+CH3COO]- 309.170741 192.6
[M+Na-2H]- 271.131556 161.6
[M]+ 250.15634142 162.3
[M]- 250.15743858 162.3
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.