CID 28379258

1-(azepan-1-yl)-2-(ethylamino)ethan-1-one

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CCNCC(=O)N1CCCCCC1

InChI

InChI=1S/C10H20N2O/c1-2-11-9-10(13)12-7-5-3-4-6-8-12/h11H,2-9H2,1H3

InChIKey

DBTAPKSDRKUCFW-UHFFFAOYSA-N

Compound name

1-(azepan-1-yl)-2-(ethylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.15756 Da
Monoisotopic Mass: 0.9
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]+	185.164836	139.6
[M+Na]+	207.146778	141.0
[M-H]-	183.150284	141.6
[M+NH4]+	202.191383	156.1
[M+K]+	223.120718	144.3
[M+H-H2O]+	167.154820	132.4
[M+HCOO]-	229.155761	157.9
[M+CH3COO]-	243.171411	185.9
[M+Na-2H]-	205.132226	143.2
[M]+	184.15701142	132.4
[M]-	184.15810858	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.