CID 62989033

4-(piperidin-4-yl)-1,4-oxazepane

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

C1CN(CCOC1)C2CCNCC2

InChI

InChI=1S/C10H20N2O/c1-6-12(7-9-13-8-1)10-2-4-11-5-3-10/h10-11H,1-9H2

InChIKey

UNXHSBLEURHESI-UHFFFAOYSA-N

Compound name

4-piperidin-4-yl-1,4-oxazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 184.15756 Da
Monoisotopic Mass: 0.4
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	140.6
[M+Na]+	207.14678	140.9
[M-H]-	183.15028	142.7
[M+NH4]+	202.19138	153.6
[M+K]+	223.12072	143.4
[M+H-H2O]+	167.15482	131.6
[M+HCOO]-	229.15576	152.4
[M+CH3COO]-	243.17141	149.5
[M+Na-2H]-	205.13223	144.5
[M]+	184.15701	128.2
[M]-	184.15811	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe