CID 5280507

Sinapyl alcohol

Structural Information

Molecular Formula
C11H14O4
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/CO
InChI
InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
InChIKey
LZFOPEXOUVTGJS-ONEGZZNKSA-N
Compound name
4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

4132
Patents

210.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.1
[M+Na]+ 233.07842 156.9
[M+NH4]+ 228.12302 151.8
[M+K]+ 249.05236 151.6
[M-H]- 209.08192 145.3
[M+Na-2H]- 231.06387 149.6
[M]+ 210.08865 146.6
[M]- 210.08975 146.6
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