CID 2769368

496057-59-1

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

C1CC(CNC1)C(=O)NCCCO

InChI

InChI=1S/C9H18N2O2/c12-6-2-5-11-9(13)8-3-1-4-10-7-8/h8,10,12H,1-7H2,(H,11,13)

InChIKey

HAFLYGPOCOJZEQ-UHFFFAOYSA-N

Compound name

N-(3-hydroxypropyl)piperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 186.13683 Da
Monoisotopic Mass: -1.2
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]+	187.14411	144.2
[M+Na]+	209.12605	146.7
[M-H]-	185.12955	142.2
[M+NH4]+	204.17065	160.3
[M+K]+	225.09999	144.4
[M+H-H2O]+	169.13409	137.4
[M+HCOO]-	231.13503	160.7
[M+CH3COO]-	245.15068	178.2
[M+Na-2H]-	207.11150	147.4
[M]+	186.13628	137.2
[M]-	186.13738	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe