CID 4712471

1-(2-aminoethyl)piperidin-3-ol

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

C1CC(CN(C1)CCN)O

InChI

InChI=1S/C7H16N2O/c8-3-5-9-4-1-2-7(10)6-9/h7,10H,1-6,8H2

InChIKey

BJPWBQHXJAUDQL-UHFFFAOYSA-N

Compound name

1-(2-aminoethyl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 144.12627 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]+	145.13355	131.9
[M+Na]+	167.11549	141.0
[M+NH4]+	162.16009	139.8
[M+K]+	183.08943	135.8
[M-H]-	143.11899	133.0
[M+Na-2H]-	165.10094	135.9
[M]+	144.12572	133.1
[M]-	144.12682	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe