CID 54758610

(5s)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one

Structural Information

Molecular Formula
C16H24O4
SMILES
CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C16H24O4/c1-2-3-4-5-13(17)11-14(18)8-6-12-7-9-15(19)16(20)10-12/h7,9-10,13,17,19-20H,2-6,8,11H2,1H3/t13-/m0/s1
InChIKey
QYRSUDCXGPMNSS-ZDUSSCGKSA-N
Compound name
(5S)-1-(3,4-dihydroxyphenyl)-5-hydroxydecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 168.4
[M+Na]+ 303.156668 172.8
[M-H]- 279.160174 167.2
[M+NH4]+ 298.201273 182.3
[M+K]+ 319.130608 169.2
[M+H-H2O]+ 263.164710 162.1
[M+HCOO]- 325.165651 185.1
[M+CH3COO]- 339.181301 196.2
[M+Na-2H]- 301.142116 167.5
[M]+ 280.16690142 169.7
[M]- 280.16799858 169.7
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.