CID 45791072

938459-02-0

Structural Information

Molecular Formula

C₁₁H₂₄N₂

SMILES

CC(C)CN1CCCCC1CCN

InChI

InChI=1S/C11H24N2/c1-10(2)9-13-8-4-3-5-11(13)6-7-12/h10-11H,3-9,12H2,1-2H3

InChIKey

FQDBLXOMWPGHEF-UHFFFAOYSA-N

Compound name

2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.19395 Da
Monoisotopic Mass: 1.9
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]+	185.201226	147.9
[M+Na]+	207.183168	151.2
[M-H]-	183.186674	148.3
[M+NH4]+	202.227773	165.9
[M+K]+	223.157108	149.5
[M+H-H2O]+	167.191210	140.9
[M+HCOO]-	229.192151	165.5
[M+CH3COO]-	243.207801	187.3
[M+Na-2H]-	205.168616	149.3
[M]+	184.19340142	142.7
[M]-	184.19449858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe