CID 5474661

Sodium 3-oxo-3-phenylprop-1-en-1-olate

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

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

InChI

InChI=1S/C9H8O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-7,10H/b7-6+

InChIKey

KZHCVYMQWVJNEY-VOTSOKGWSA-N

Compound name

(E)-3-hydroxy-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 148.05243 Da
Monoisotopic Mass: 2.2
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]+	149.05971	130.1
[M+Na]+	171.04165	142.4
[M+NH4]+	166.08625	138.3
[M+K]+	187.01559	136.3
[M-H]-	147.04515	131.3
[M+Na-2H]-	169.02710	136.8
[M]+	148.05188	132.0
[M]-	148.05298	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe