CID 55299195

4-(hydroxymethyl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CNCCC1(CO)C#N

InChI

InChI=1S/C7H12N2O/c8-5-7(6-10)1-3-9-4-2-7/h9-10H,1-4,6H2

InChIKey

FGSXRNOVQKOOFA-UHFFFAOYSA-N

Compound name

4-(hydroxymethyl)piperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 140.09496 Da
Monoisotopic Mass: -0.9
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]+	141.10224	129.5
[M+Na]+	163.08418	137.3
[M-H]-	139.08768	128.8
[M+NH4]+	158.12878	148.1
[M+K]+	179.05812	133.9
[M+H-H2O]+	123.09222	118.1
[M+HCOO]-	185.09316	143.6
[M+CH3COO]-	199.10881	180.3
[M+Na-2H]-	161.06963	135.8
[M]+	140.09441	118.7
[M]-	140.09551	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe