CID 3026305

2079-49-4

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

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

InChI

InChI=1S/C12H17NO2/c1-10(14)11-4-6-12(7-5-11)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3

InChIKey

BORAIMRIXNKUFQ-UHFFFAOYSA-N

Compound name

1-[4-[2-(dimethylamino)ethoxy]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 207.12593 Da
Monoisotopic Mass: 1.6
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]+	208.13321	146.8
[M+Na]+	230.11515	153.2
[M-H]-	206.11865	151.7
[M+NH4]+	225.15975	166.2
[M+K]+	246.08909	152.8
[M+H-H2O]+	190.12319	140.1
[M+HCOO]-	252.12413	171.6
[M+CH3COO]-	266.13978	193.9
[M+Na-2H]-	228.10060	151.0
[M]+	207.12538	150.3
[M]-	207.12648	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe