CID 18738665

91245-82-8

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

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

InChI

InChI=1S/C11H15NO/c1-9(13)11-6-4-10(5-7-11)8-12(2)3/h4-7H,8H2,1-3H3

InChIKey

QVUOUGMOYJKOPL-UHFFFAOYSA-N

Compound name

1-[4-[(dimethylamino)methyl]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 177.11537 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]+	178.12265	139.5
[M+Na]+	200.10459	151.7
[M+NH4]+	195.14919	148.3
[M+K]+	216.07853	145.5
[M-H]-	176.10809	142.6
[M+Na-2H]-	198.09004	146.6
[M]+	177.11482	142.1
[M]-	177.11592	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe