CID 18001887

3-(4-aminopiperidin-1-yl)propan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

C1CN(CCC1N)CCCO

InChI

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

InChIKey

IXLYVDGIYOYCMO-UHFFFAOYSA-N

Compound name

3-(4-aminopiperidin-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 158.1419 Da
Monoisotopic Mass: -0.4
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]+	159.14918	137.4
[M+Na]+	181.13112	141.8
[M-H]-	157.13462	136.8
[M+NH4]+	176.17572	155.7
[M+K]+	197.10506	139.9
[M+H-H2O]+	141.13916	130.9
[M+HCOO]-	203.14010	155.7
[M+CH3COO]-	217.15575	176.7
[M+Na-2H]-	179.11657	141.1
[M]+	158.14135	131.3
[M]-	158.14245	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe