CID 7330476

2-[4-(aminomethyl)piperidin-1-yl]ethan-1-ol

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

C1CN(CCC1CN)CCO

InChI

InChI=1S/C8H18N2O/c9-7-8-1-3-10(4-2-8)5-6-11/h8,11H,1-7,9H2

InChIKey

VKMYXOQRUXXUHE-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)piperidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 158.1419 Da
Monoisotopic Mass: -0.6
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]+	159.149176	137.4
[M+Na]+	181.131118	141.8
[M-H]-	157.134624	136.8
[M+NH4]+	176.175723	155.7
[M+K]+	197.105058	139.9
[M+H-H2O]+	141.139160	130.9
[M+HCOO]-	203.140101	155.7
[M+CH3COO]-	217.155751	176.7
[M+Na-2H]-	179.116566	141.1
[M]+	158.14135142	131.3
[M]-	158.14244858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe