CID 45791468

1209558-81-5

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC(C)NCC1CCCNC1

InChI

InChI=1S/C9H20N2/c1-8(2)11-7-9-4-3-5-10-6-9/h8-11H,3-7H2,1-2H3

InChIKey

NNFVUEAMGPGPTA-UHFFFAOYSA-N

Compound name

N-(piperidin-3-ylmethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 156.16264 Da
Monoisotopic Mass: 0.9
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	139.1
[M+Na]+	179.151858	141.8
[M-H]-	155.155364	138.6
[M+NH4]+	174.196463	157.4
[M+K]+	195.125798	140.1
[M+H-H2O]+	139.159900	132.5
[M+HCOO]-	201.160841	156.5
[M+CH3COO]-	215.176491	178.1
[M+Na-2H]-	177.137306	142.8
[M]+	156.16209142	131.9
[M]-	156.16318858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe