CID 21951591

Avenalumic acid

Structural Information

Molecular Formula
C11H10O3
SMILES
C1=CC(=CC=C1/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C11H10O3/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h1-8,12H,(H,13,14)/b3-1+,4-2+
InChIKey
CYYTUYSFBHDJRH-ZPUQHVIOSA-N
Compound name
(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

190.06299 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 141.7
[M+Na]+ 213.05221 152.9
[M+NH4]+ 208.09681 148.2
[M+K]+ 229.02615 147.2
[M-H]- 189.05571 141.5
[M+Na-2H]- 211.03766 146.4
[M]+ 190.06244 142.9
[M]- 190.06354 142.9
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