CID 10465548

195813-59-3

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CN(C)/C=C/C(=O)C1=CC=CC=C1OC

InChI

InChI=1S/C12H15NO2/c1-13(2)9-8-11(14)10-6-4-5-7-12(10)15-3/h4-9H,1-3H3/b9-8+

InChIKey

WKNJWYUQADHZSM-CMDGGOBGSA-N

Compound name

(E)-3-(dimethylamino)-1-(2-methoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 205.11028 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]+	206.11756	145.5
[M+Na]+	228.09950	152.2
[M-H]-	204.10300	150.5
[M+NH4]+	223.14410	165.0
[M+K]+	244.07344	151.3
[M+H-H2O]+	188.10754	138.9
[M+HCOO]-	250.10848	170.5
[M+CH3COO]-	264.12413	192.3
[M+Na-2H]-	226.08495	149.8
[M]+	205.10973	148.2
[M]-	205.11083	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe