CID 18931400

4-hydroxypiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1CNCCC1(C#N)O

InChI

InChI=1S/C6H10N2O/c7-5-6(9)1-3-8-4-2-6/h8-9H,1-4H2

InChIKey

IMWFFXOXUGKCSH-UHFFFAOYSA-N

Compound name

4-hydroxypiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 126.079315 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]+	127.08659	128.1
[M+Na]+	149.06853	137.7
[M+NH4]+	144.11314	133.9
[M+K]+	165.04247	128.0
[M-H]-	125.07204	121.2
[M+Na-2H]-	147.05398	131.6
[M]+	126.07877	126.6
[M]-	126.07986	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe