CID 12088093

179474-79-4

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

COCCCN1CCC(CC1)N

InChI

InChI=1S/C9H20N2O/c1-12-8-2-5-11-6-3-9(10)4-7-11/h9H,2-8,10H2,1H3

InChIKey

HIXAJGFVNMKLML-UHFFFAOYSA-N

Compound name

1-(3-methoxypropyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 172.15756 Da
Monoisotopic Mass: 0.1
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]+	173.16484	141.3
[M+Na]+	195.14678	145.6
[M-H]-	171.15028	141.9
[M+NH4]+	190.19138	159.7
[M+K]+	211.12072	144.4
[M+H-H2O]+	155.15482	134.4
[M+HCOO]-	217.15576	160.8
[M+CH3COO]-	231.17141	182.4
[M+Na-2H]-	193.13223	145.0
[M]+	172.15701	137.4
[M]-	172.15811	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe