CID 24274799

[(1-isobutylpiperidin-3-yl)methyl]amine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CC(C)CN1CCCC(C1)CN

InChI

InChI=1S/C10H22N2/c1-9(2)7-12-5-3-4-10(6-11)8-12/h9-10H,3-8,11H2,1-2H3

InChIKey

AFYKCTGWHMTWLK-UHFFFAOYSA-N

Compound name

[1-(2-methylpropyl)piperidin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 170.1783 Da
Monoisotopic Mass: 1.4
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]+	171.185576	143.4
[M+Na]+	193.167518	147.1
[M-H]-	169.171024	144.0
[M+NH4]+	188.212123	162.0
[M+K]+	209.141458	145.7
[M+H-H2O]+	153.175560	136.6
[M+HCOO]-	215.176501	161.3
[M+CH3COO]-	229.192151	184.2
[M+Na-2H]-	191.152966	145.3
[M]+	170.17775142	137.8
[M]-	170.17884858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe