CID 2048987

(2e,4e)-4-methyl-5-phenylpenta-2,4-dienoic acid

Structural Information

Molecular Formula
C12H12O2
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/C(=O)O
InChI
InChI=1S/C12H12O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)/b8-7+,10-9+
InChIKey
NWKUGDBRICNTTN-XBLVEGMJSA-N
Compound name
(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

188.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 141.8
[M+Na]+ 211.07294 148.0
[M-H]- 187.07644 143.7
[M+NH4]+ 206.11754 160.6
[M+K]+ 227.04688 144.6
[M+H-H2O]+ 171.08098 136.1
[M+HCOO]- 233.08192 163.0
[M+CH3COO]- 247.09757 179.5
[M+Na-2H]- 209.05839 145.5
[M]+ 188.08317 140.2
[M]- 188.08427 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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