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]+ 281.17473 168.4
[M+Na]+ 303.15667 172.8
[M-H]- 279.16017 167.2
[M+NH4]+ 298.20127 182.3
[M+K]+ 319.13061 169.2
[M+H-H2O]+ 263.16471 162.1
[M+HCOO]- 325.16565 185.1
[M+CH3COO]- 339.18130 196.2
[M+Na-2H]- 301.14212 167.5
[M]+ 280.16690 169.7
[M]- 280.16800 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.