CID 2106897

1-aminocyclopentanecarbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

C1CCC(C1)(C#N)N

InChI

InChI=1S/C6H10N2/c7-5-6(8)3-1-2-4-6/h1-4,8H2

InChIKey

KFPMRYNOEZCHDP-UHFFFAOYSA-N

Compound name

1-aminocyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 314
Patents: 110.0844 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]+	111.091676	123.6
[M+Na]+	133.073618	132.8
[M-H]-	109.077124	126.6
[M+NH4]+	128.118223	146.9
[M+K]+	149.047558	130.0
[M+H-H2O]+	93.081660	112.5
[M+HCOO]-	155.082601	143.8
[M+CH3COO]-	169.098251	181.7
[M+Na-2H]-	131.059066	129.4
[M]+	110.08385142	114.4
[M]-	110.08494858	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe