CID 17389974

914202-87-2

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

COCCCN1CCC(C1)CN

InChI

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

InChIKey

FURWGAXOMMXUJR-UHFFFAOYSA-N

Compound name

[1-(3-methoxypropyl)pyrrolidin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	140.8
[M+Na]+	195.14678	149.0
[M+NH4]+	190.19138	148.5
[M+K]+	211.12072	145.1
[M-H]-	171.15028	141.6
[M+Na-2H]-	193.13223	143.9
[M]+	172.15701	141.8
[M]-	172.15811	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.