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: 74
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	140.5
[M+Na]+	195.14678	149.8
[M+NH4]+	190.19138	148.4
[M+K]+	211.12072	143.8
[M-H]-	171.15028	142.1
[M+Na-2H]-	193.13223	144.6
[M]+	172.15701	141.9
[M]-	172.15811	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe