CID 22688888

2-(3-methylpiperidino)acetonitrile

Structural Information

Molecular Formula

C₈H₁₄N₂

SMILES

CC1CCCN(C1)CC#N

InChI

InChI=1S/C8H14N2/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-3,5-7H2,1H3

InChIKey

FACOYHQFZOVUQZ-UHFFFAOYSA-N

Compound name

2-(3-methylpiperidin-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 138.11569 Da
Monoisotopic Mass: 1.3
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]+	139.122966	126.8
[M+Na]+	161.104908	134.6
[M-H]-	137.108414	128.2
[M+NH4]+	156.149513	145.2
[M+K]+	177.078848	132.6
[M+H-H2O]+	121.112950	114.2
[M+HCOO]-	183.113891	143.0
[M+CH3COO]-	197.129541	187.4
[M+Na-2H]-	159.090356	132.1
[M]+	138.11514142	118.4
[M]-	138.11623858	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe