CID 6449393

2,4-hexadienoic acid, 6-hydroxy-6-phenyl-, (e,e)-

Structural Information

Molecular Formula
C12H12O3
SMILES
C1=CC=C(C=C1)C(/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C12H12O3/c13-11(8-4-5-9-12(14)15)10-6-2-1-3-7-10/h1-9,11,13H,(H,14,15)/b8-4+,9-5+
InChIKey
KEGHUUOLLJXJTQ-KBXRYBNXSA-N
Compound name
(2E,4E)-6-hydroxy-6-phenylhexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 145.7
[M+Na]+ 227.067858 151.4
[M-H]- 203.071364 146.1
[M+NH4]+ 222.112463 163.0
[M+K]+ 243.041798 147.6
[M+H-H2O]+ 187.075900 140.0
[M+HCOO]- 249.076841 165.5
[M+CH3COO]- 263.092491 179.0
[M+Na-2H]- 225.053306 148.8
[M]+ 204.07809142 143.7
[M]- 204.07918858 143.7
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.