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

3783
Patents

210.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.0
[M+Na]+ 233.078418 152.6
[M-H]- 209.081924 145.5
[M+NH4]+ 228.123023 162.1
[M+K]+ 249.052358 150.1
[M+H-H2O]+ 193.086460 138.5
[M+HCOO]- 255.087401 165.9
[M+CH3COO]- 269.103051 182.4
[M+Na-2H]- 231.063866 148.1
[M]+ 210.08865142 147.1
[M]- 210.08974858 147.1
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