CID 1991424

55379-99-2

Structural Information

Molecular Formula

C₁₂H₁₂O₃

SMILES

C=CCOC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C12H12O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h2-8H,1,9H2,(H,13,14)/b8-5+

InChIKey

BDQXWLNXUBMIEG-VMPITWQZSA-N

Compound name

(E)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 204.07864 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.08592	145.4
[M+Na]+	227.06786	157.0
[M+NH4]+	222.11246	152.1
[M+K]+	243.04180	150.8
[M-H]-	203.07136	145.7
[M+Na-2H]-	225.05331	150.5
[M]+	204.07809	146.8
[M]-	204.07919	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe