CID 19019833

1-(2-methoxyethyl)-1,4-diazepane

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

COCCN1CCCNCC1

InChI

InChI=1S/C8H18N2O/c1-11-8-7-10-5-2-3-9-4-6-10/h9H,2-8H2,1H3

InChIKey

PDGPTNXEAQRUMD-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 158.1419 Da
Monoisotopic Mass: -0.2
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]+	159.149176	132.2
[M+Na]+	181.131118	134.7
[M-H]-	157.134624	131.6
[M+NH4]+	176.175723	148.1
[M+K]+	197.105058	137.5
[M+H-H2O]+	141.139160	124.4
[M+HCOO]-	203.140101	148.2
[M+CH3COO]-	217.155751	176.4
[M+Na-2H]-	179.116566	137.2
[M]+	158.14135142	125.0
[M]-	158.14244858	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe