CID 15173

2-propenal, 3-(2-methoxyphenyl)-

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

COC1=CC=CC=C1C=CC=O

InChI

InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3

InChIKey

KKVZAVRSVHUSPL-UHFFFAOYSA-N

Compound name

3-(2-methoxyphenyl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 44
References: 3718
Patents: 162.06808 Da
Monoisotopic Mass: 1.7
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]+	163.075356	131.5
[M+Na]+	185.057298	140.2
[M-H]-	161.060804	135.5
[M+NH4]+	180.101903	152.6
[M+K]+	201.031238	137.9
[M+H-H2O]+	145.065340	126.0
[M+HCOO]-	207.066281	156.7
[M+CH3COO]-	221.081931	177.1
[M+Na-2H]-	183.042746	138.7
[M]+	162.06753142	133.7
[M]-	162.06862858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.