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]+ 251.12779 159.4
[M+Na]+ 273.10973 168.4
[M+NH4]+ 268.15433 164.3
[M+K]+ 289.08367 164.3
[M-H]- 249.11323 157.6
[M+Na-2H]- 271.09518 161.1
[M]+ 250.11996 159.7
[M]- 250.12106 159.7
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.