CID 49778007

1-(3,5-dihydroxyphenyl)-1-nonanone

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]+ 251.16417 160.2
[M+Na]+ 273.14611 165.9
[M-H]- 249.14961 160.6
[M+NH4]+ 268.19071 176.3
[M+K]+ 289.12005 162.3
[M+H-H2O]+ 233.15415 154.1
[M+HCOO]- 295.15509 179.6
[M+CH3COO]- 309.17074 192.6
[M+Na-2H]- 271.13156 161.6
[M]+ 250.15634 162.3
[M]- 250.15744 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.