CID 23498080

622369-83-9

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CN1CCC(CC1)CCCN

InChI

InChI=1S/C9H20N2/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8,10H2,1H3

InChIKey

IEQHWSWDQPNZTK-UHFFFAOYSA-N

Compound name

3-(1-methylpiperidin-4-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 156.16264 Da
Monoisotopic Mass: 0.8
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]+	157.169916	138.4
[M+Na]+	179.151858	142.8
[M-H]-	155.155364	139.1
[M+NH4]+	174.196463	157.5
[M+K]+	195.125798	141.1
[M+H-H2O]+	139.159900	131.7
[M+HCOO]-	201.160841	157.6
[M+CH3COO]-	215.176491	180.3
[M+Na-2H]-	177.137306	142.1
[M]+	156.16209142	133.1
[M]-	156.16318858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe