CID 20711133

4-methylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC1(CCNCC1)C#N

InChI

InChI=1S/C7H12N2/c1-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3

InChIKey

VIXYONLJAGTTOD-UHFFFAOYSA-N

Compound name

4-methylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 124.10005 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]+	125.10733	129.0
[M+Na]+	147.08927	139.3
[M+NH4]+	142.13387	135.5
[M+K]+	163.06321	128.7
[M-H]-	123.09277	123.0
[M+Na-2H]-	145.07472	133.2
[M]+	124.09950	127.9
[M]-	124.10060	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe