CID 2737525

827614-50-6

Structural Information

Molecular Formula

C₁₂H₂₅N₃O

SMILES

C1CNCCN(C1)CCCN2CCOCC2

InChI

InChI=1S/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2

InChIKey

QSSZXFOYGIGJBX-UHFFFAOYSA-N

Compound name

4-[3-(1,4-diazepan-1-yl)propyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 227.19977 Da
Monoisotopic Mass: 0.0
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]+	228.20705	153.6
[M+Na]+	250.18899	153.2
[M-H]-	226.19249	153.8
[M+NH4]+	245.23359	163.5
[M+K]+	266.16293	155.1
[M+H-H2O]+	210.19703	142.5
[M+HCOO]-	272.19797	163.4
[M+CH3COO]-	286.21362	160.8
[M+Na-2H]-	248.17444	156.3
[M]+	227.19922	142.2
[M]-	227.20032	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe