CID 28707416

2551119-49-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

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

InChIKey

AGUGTVMQPNPBDL-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 178.11061 Da
Monoisotopic Mass: -0.3
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	140.1
[M+Na]+	201.09983	150.5
[M+NH4]+	196.14443	148.3
[M+K]+	217.07377	144.9
[M-H]-	177.10333	143.1
[M+Na-2H]-	199.08528	146.8
[M]+	178.11006	142.2
[M]-	178.11116	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe