CID 2760942

849020-90-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c1-8(13)12(2)10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3

InChIKey

DPMYETDSKOTDPX-UHFFFAOYSA-N

Compound name

N-[3-(aminomethyl)phenyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 178.11061 Da
Monoisotopic Mass: 0.1
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]+	179.11789	139.8
[M+Na]+	201.09983	150.6
[M+NH4]+	196.14443	148.0
[M+K]+	217.07377	145.2
[M-H]-	177.10333	142.9
[M+Na-2H]-	199.08528	146.3
[M]+	178.11006	142.0
[M]-	178.11116	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe