CID 131143619

1374744-16-7

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

CC1CC(CNC1)C#N

InChI

InChI=1S/C7H12N2/c1-6-2-7(3-8)5-9-4-6/h6-7,9H,2,4-5H2,1H3

InChIKey

KLKXWOZRCZWLNA-UHFFFAOYSA-N

Compound name

5-methylpiperidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	129.6
[M+Na]+	147.08927	140.1
[M+NH4]+	142.13387	134.8
[M+K]+	163.06321	131.1
[M-H]-	123.09277	123.7
[M+Na-2H]-	145.07472	132.2
[M]+	124.09950	128.4
[M]-	124.10060	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.