CID 5357283

Methyl ferulate

Structural Information

Molecular Formula
C11H12O4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)OC)O
InChI
InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChIKey
AUJXJFHANFIVKH-GQCTYLIASA-N
Compound name
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

73
References

1673
Patents

208.07356 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 144.3
[M+Na]+ 231.06278 156.0
[M+NH4]+ 226.10738 151.0
[M+K]+ 247.03672 150.9
[M-H]- 207.06628 144.5
[M+Na-2H]- 229.04823 149.1
[M]+ 208.07301 145.8
[M]- 208.07411 145.8
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