CID 12709207

728003-93-8

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(CC(=O)O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C12H14O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,13,14)/b8-7+
InChIKey
YZHNOECSYWOHDQ-BQYQJAHWSA-N
Compound name
(E)-3-methyl-5-phenylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 143.0
[M+Na]+ 213.08860 148.9
[M-H]- 189.09210 144.9
[M+NH4]+ 208.13320 161.7
[M+K]+ 229.06254 146.1
[M+H-H2O]+ 173.09664 137.3
[M+HCOO]- 235.09758 164.0
[M+CH3COO]- 249.11323 181.0
[M+Na-2H]- 211.07405 146.7
[M]+ 190.09883 142.3
[M]- 190.09993 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

No patent data available for this compound.