CID 433376

Nsc328489

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

C1CCCN(CC1)N2CCOCC2

InChI

InChI=1S/C10H20N2O/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h1-10H2

InChIKey

SAKJVQIASONOAF-UHFFFAOYSA-N

Compound name

4-(azepan-1-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 184.15756 Da
Monoisotopic Mass: 1.3
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]+	185.16484	139.7
[M+Na]+	207.14678	140.4
[M-H]-	183.15028	143.0
[M+NH4]+	202.19138	153.3
[M+K]+	223.12072	143.7
[M+H-H2O]+	167.15482	130.5
[M+HCOO]-	229.15576	152.9
[M+CH3COO]-	243.17141	149.2
[M+Na-2H]-	205.13223	144.1
[M]+	184.15701	129.0
[M]-	184.15811	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe