CID 520083

23982-57-2

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(=O)CN(C)CC1=CC=CC=C1

InChI

InChI=1S/C11H15NO/c1-10(13)8-12(2)9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3

InChIKey

BKBKJBOVLPZZIU-UHFFFAOYSA-N

Compound name

1-[benzyl(methyl)amino]propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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	139.6
[M+Na]+	200.10459	145.5
[M-H]-	176.10809	144.4
[M+NH4]+	195.14919	160.0
[M+K]+	216.07853	144.8
[M+H-H2O]+	160.11263	133.1
[M+HCOO]-	222.11357	164.5
[M+CH3COO]-	236.12922	187.7
[M+Na-2H]-	198.09004	145.1
[M]+	177.11482	140.9
[M]-	177.11592	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe