CID 5460220

Hopda

Structural Information

Molecular Formula
C12H10O4
SMILES
C1=CC=C(C=C1)/C(=C\C=C\C(=O)C(=O)O)/O
InChI
InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,13H,(H,15,16)/b8-4+,10-7+
InChIKey
YOVXRIACERVBAG-AJQRHIRFSA-N
Compound name
(3E,5E)-6-hydroxy-2-oxo-6-phenylhexa-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

698
Patents

218.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 148.4
[M+Na]+ 241.04712 158.0
[M+NH4]+ 236.09172 153.7
[M+K]+ 257.02106 154.0
[M-H]- 217.05062 147.0
[M+Na-2H]- 239.03257 151.8
[M]+ 218.05735 148.8
[M]- 218.05845 148.8
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