CID 445858

Ferulic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)O)O
InChI
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
InChIKey
KSEBMYQBYZTDHS-HWKANZROSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

4374
References

70400
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 138.7
[M+Na]+ 217.04712 146.9
[M-H]- 193.05062 140.2
[M+NH4]+ 212.09172 157.1
[M+K]+ 233.02106 144.4
[M+H-H2O]+ 177.05516 133.4
[M+HCOO]- 239.05610 160.3
[M+CH3COO]- 253.07175 178.1
[M+Na-2H]- 215.03257 142.9
[M]+ 194.05735 139.7
[M]- 194.05845 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.