CID 21897825

4-hydroxypiperidine-1-carbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CN(CCC1O)C#N

InChI

InChI=1S/C6H10N2O/c7-5-8-3-1-6(9)2-4-8/h6,9H,1-4H2

InChIKey

OPBQHNZSOOLCPP-UHFFFAOYSA-N

Compound name

4-hydroxypiperidine-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 126.079315 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]+	127.08659	122.9
[M+Na]+	149.06853	131.1
[M-H]-	125.07204	123.4
[M+NH4]+	144.11314	141.0
[M+K]+	165.04247	129.2
[M+H-H2O]+	109.07658	110.8
[M+HCOO]-	171.07752	138.6
[M+CH3COO]-	185.09317	181.3
[M+Na-2H]-	147.05398	128.7
[M]+	126.07877	113.5
[M]-	126.07986	113.5

Literature stripe

literature stripe

Patent stripe

patents stripe