CID 24017

4'-methoxyacrylophenone

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

COC1=CC=C(C=C1)C(=O)C=C

InChI

InChI=1S/C10H10O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h3-7H,1H2,2H3

InChIKey

YMESWDPSFKMFND-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 162.06808 Da
Monoisotopic Mass: 2.3
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]+	163.07536	131.5
[M+Na]+	185.05730	139.8
[M-H]-	161.06080	135.5
[M+NH4]+	180.10190	152.4
[M+K]+	201.03124	138.0
[M+H-H2O]+	145.06534	126.0
[M+HCOO]-	207.06628	155.7
[M+CH3COO]-	221.08193	178.6
[M+Na-2H]-	183.04275	137.4
[M]+	162.06753	133.1
[M]-	162.06863	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe