CID 254296

Nonyl 2,3,4-trihydroxyphenyl ketone

Structural Information

Molecular Formula
C16H24O4
SMILES
CCCCCCCCCC(=O)C1=C(C(=C(C=C1)O)O)O
InChI
InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-13(17)12-10-11-14(18)16(20)15(12)19/h10-11,18-20H,2-9H2,1H3
InChIKey
ZPMQGTUVDYNEHO-UHFFFAOYSA-N
Compound name
1-(2,3,4-trihydroxyphenyl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

280.16745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17473 167.6
[M+Na]+ 303.15667 173.2
[M-H]- 279.16017 166.7
[M+NH4]+ 298.20127 182.0
[M+K]+ 319.13061 169.1
[M+H-H2O]+ 263.16471 161.4
[M+HCOO]- 325.16565 185.3
[M+CH3COO]- 339.18130 196.6
[M+Na-2H]- 301.14212 167.3
[M]+ 280.16690 170.0
[M]- 280.16800 170.0
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.