CID 28063523

[1-(2-methoxyethyl)piperidin-4-yl]methanamine

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

COCCN1CCC(CC1)CN

InChI

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

InChIKey

DVRUPOLTRICBFA-UHFFFAOYSA-N

Compound name

[1-(2-methoxyethyl)piperidin-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
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