CID 5476564

4-methyl-5-phenylpent-4-enoic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C/C(=C\C1=CC=CC=C1)/CCC(=O)O
InChI
InChI=1S/C12H14O2/c1-10(7-8-12(13)14)9-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14)/b10-9+
InChIKey
VHEPVKWHVDVIIE-MDZDMXLPSA-N
Compound name
(E)-4-methyl-5-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 143.0
[M+Na]+ 213.088598 148.9
[M-H]- 189.092104 144.9
[M+NH4]+ 208.133203 161.7
[M+K]+ 229.062538 146.1
[M+H-H2O]+ 173.096640 137.3
[M+HCOO]- 235.097581 164.0
[M+CH3COO]- 249.113231 181.0
[M+Na-2H]- 211.074046 146.7
[M]+ 190.09883142 142.3
[M]- 190.09992858 142.3
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