CID 562459

2-(benzylamino)-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CNC(=O)CNCC1=CC=CC=C1

InChI

InChI=1S/C10H14N2O/c1-11-10(13)8-12-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H,11,13)

InChIKey

DIVDOIBIQCYJML-UHFFFAOYSA-N

Compound name

2-(benzylamino)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 178.11061 Da
Monoisotopic Mass: 0.6
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]+	179.117886	139.1
[M+Na]+	201.099828	144.3
[M-H]-	177.103334	142.4
[M+NH4]+	196.144433	158.3
[M+K]+	217.073768	142.5
[M+H-H2O]+	161.107870	132.4
[M+HCOO]-	223.108811	164.8
[M+CH3COO]-	237.124461	185.4
[M+Na-2H]-	199.085276	146.0
[M]+	178.11006142	137.8
[M]-	178.11115858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe