CID 25244816

Cis-6'-hydroxyferulate

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=C(C=C(C(=C1)/C=C/C(=O)O)O)O
InChI
InChI=1S/C10H10O5/c1-15-9-4-6(2-3-10(13)14)7(11)5-8(9)12/h2-5,11-12H,1H3,(H,13,14)/b3-2+
InChIKey
QVTORZSLDIMFQS-NSCUHMNNSA-N
Compound name
(E)-3-(2,4-dihydroxy-5-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

210.05283 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 141.6
[M+Na]+ 233.04205 150.1
[M-H]- 209.04555 141.9
[M+NH4]+ 228.08665 158.7
[M+K]+ 249.01599 147.4
[M+H-H2O]+ 193.05009 136.4
[M+HCOO]- 255.05103 161.7
[M+CH3COO]- 269.06668 179.3
[M+Na-2H]- 231.02750 144.5
[M]+ 210.05228 142.5
[M]- 210.05338 142.5
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

patents stripe