CID 65362069

1-(2-methoxyethyl)-1,4-diazepan-2-one

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

COCCN1CCCNCC1=O

InChI

InChI=1S/C8H16N2O2/c1-12-6-5-10-4-2-3-9-7-8(10)11/h9H,2-7H2,1H3

InChIKey

QNNQFWDKUBSTNM-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)-1,4-diazepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.12119 Da
Monoisotopic Mass: -0.7
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]+	173.12847	135.6
[M+Na]+	195.11041	143.4
[M+NH4]+	190.15501	141.5
[M+K]+	211.08435	140.2
[M-H]-	171.11391	134.8
[M+Na-2H]-	193.09586	139.2
[M]+	172.12064	136.1
[M]-	172.12174	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe