CID 5282095

5-hydroxyconiferyl alcohol

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC(=CC(=C1O)O)/C=C/CO
InChI
InChI=1S/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3/b3-2+
InChIKey
NPNAJGCZQBQWQZ-NSCUHMNNSA-N
Compound name
5-[(E)-3-hydroxyprop-1-enyl]-3-methoxybenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

147
Patents

196.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.2
[M+Na]+ 219.06278 152.6
[M+NH4]+ 214.10738 147.6
[M+K]+ 235.03672 147.8
[M-H]- 195.06628 140.8
[M+Na-2H]- 217.04823 145.2
[M]+ 196.07301 142.4
[M]- 196.07411 142.4
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

patents stripe