CID 101551464

Dihydropyriculariol

Structural Information

Molecular Formula
C14H18O4
SMILES
C[C@@H]([C@@H](/C=C/C=C/C1=C(C(=CC=C1)O)CO)O)O
InChI
InChI=1S/C14H18O4/c1-10(16)13(17)7-3-2-5-11-6-4-8-14(18)12(11)9-15/h2-8,10,13,15-18H,9H2,1H3/b5-2+,7-3+/t10-,13+/m0/s1
InChIKey
FIAPAWSJVOXFNR-BZUCXLHXSA-N
Compound name
(2S,3R,4E,6E)-7-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-4,6-diene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 159.0
[M+Na]+ 273.109728 164.3
[M-H]- 249.113234 156.9
[M+NH4]+ 268.154333 173.5
[M+K]+ 289.083668 159.7
[M+H-H2O]+ 233.117770 153.5
[M+HCOO]- 295.118711 175.1
[M+CH3COO]- 309.134361 185.8
[M+Na-2H]- 271.095176 158.6
[M]+ 250.11996142 156.9
[M]- 250.12105858 156.9
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.