CID 14210773

3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

C1CN(CCC1O)C(=O)CCN

InChI

InChI=1S/C8H16N2O2/c9-4-1-8(12)10-5-2-7(11)3-6-10/h7,11H,1-6,9H2

InChIKey

RHTAWPNTXLQHFC-UHFFFAOYSA-N

Compound name

3-amino-1-(4-hydroxypiperidin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.12119 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]+	173.128466	139.7
[M+Na]+	195.110408	144.1
[M-H]-	171.113914	139.3
[M+NH4]+	190.155013	157.3
[M+K]+	211.084348	142.6
[M+H-H2O]+	155.118450	133.2
[M+HCOO]-	217.119391	157.4
[M+CH3COO]-	231.135041	178.2
[M+Na-2H]-	193.095856	142.2
[M]+	172.12064142	133.6
[M]-	172.12173858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe