CID 43251684

928003-92-3

Structural Information

Molecular Formula

C₉H₁₉N₃O

SMILES

CC(=O)N1CCCN(CC1)CCN

InChI

InChI=1S/C9H19N3O/c1-9(13)12-5-2-4-11(6-3-10)7-8-12/h2-8,10H2,1H3

InChIKey

RYUJXKQEZJLFDB-UHFFFAOYSA-N

Compound name

1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.15282 Da
Monoisotopic Mass: -1.0
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]+	186.16010	140.6
[M+Na]+	208.14204	147.4
[M+NH4]+	203.18664	146.5
[M+K]+	224.11598	144.5
[M-H]-	184.14554	140.5
[M+Na-2H]-	206.12749	143.8
[M]+	185.15227	141.1
[M]-	185.15337	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.