CID 3360022

1-(3,4-dihydroxyphenyl)-1-decanone

Structural Information

Molecular Formula
C16H24O3
SMILES
CCCCCCCCCC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-9-14(17)13-10-11-15(18)16(19)12-13/h10-12,18-19H,2-9H2,1H3
InChIKey
MAAOXUGFTUYHFV-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 164.8
[M+Na]+ 287.16177 170.1
[M-H]- 263.16527 165.0
[M+NH4]+ 282.20637 180.3
[M+K]+ 303.13571 166.2
[M+H-H2O]+ 247.16981 158.4
[M+HCOO]- 309.17075 183.8
[M+CH3COO]- 323.18640 195.6
[M+Na-2H]- 285.14722 165.6
[M]+ 264.17200 167.2
[M]- 264.17310 167.2
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.