CID 6447869

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

Structural Information

Molecular Formula
C12H12O2
SMILES
C1=CC=C(C=C1)C/C=C/C=C/C(=O)O
InChI
InChI=1S/C12H12O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1-8,10H,9H2,(H,13,14)/b5-2+,10-6+
InChIKey
BKRJTTFJCFYPBQ-SUWMZURFSA-N
Compound name
(2E,4E)-6-phenylhexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 141.6
[M+Na]+ 211.07294 148.1
[M-H]- 187.07644 143.5
[M+NH4]+ 206.11754 160.5
[M+K]+ 227.04688 144.2
[M+H-H2O]+ 171.08098 135.9
[M+HCOO]- 233.08192 163.8
[M+CH3COO]- 247.09757 178.6
[M+Na-2H]- 209.05839 146.5
[M]+ 188.08317 140.7
[M]- 188.08427 140.7
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

patents stripe