CID 209979

20809-04-5

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCC(=O)C1=CC=C(C=C1)OCCN(C)C

InChI

InChI=1S/C13H19NO2/c1-4-13(15)11-5-7-12(8-6-11)16-10-9-14(2)3/h5-8H,4,9-10H2,1-3H3

InChIKey

VXBVLTCCIAYZCD-UHFFFAOYSA-N

Compound name

1-[4-[2-(dimethylamino)ethoxy]phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.14159 Da
Monoisotopic Mass: 2.1
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]+	222.14887	151.6
[M+Na]+	244.13081	157.5
[M-H]-	220.13431	156.3
[M+NH4]+	239.17541	170.4
[M+K]+	260.10475	156.9
[M+H-H2O]+	204.13885	144.7
[M+HCOO]-	266.13979	176.0
[M+CH3COO]-	280.15544	196.9
[M+Na-2H]-	242.11626	155.2
[M]+	221.14104	155.4
[M]-	221.14214	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe