CID 6449393

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

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]+ 205.08592 145.7
[M+Na]+ 227.06786 151.4
[M-H]- 203.07136 146.1
[M+NH4]+ 222.11246 163.0
[M+K]+ 243.04180 147.6
[M+H-H2O]+ 187.07590 140.0
[M+HCOO]- 249.07684 165.5
[M+CH3COO]- 263.09249 179.0
[M+Na-2H]- 225.05331 148.8
[M]+ 204.07809 143.7
[M]- 204.07919 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.