CID 64982685

Methyl 4-cyanopiperidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

COC(=O)C1(CCNCC1)C#N

InChI

InChI=1S/C8H12N2O2/c1-12-7(11)8(6-9)2-4-10-5-3-8/h10H,2-5H2,1H3

InChIKey

GNKQILAUTUVSDE-UHFFFAOYSA-N

Compound name

methyl 4-cyanopiperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.08987 Da
Monoisotopic Mass: -0.1
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]+	169.09715	138.2
[M+Na]+	191.07909	147.2
[M+NH4]+	186.12369	143.1
[M+K]+	207.05303	137.9
[M-H]-	167.08259	130.8
[M+Na-2H]-	189.06454	140.9
[M]+	168.08932	136.4
[M]-	168.09042	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe