CID 16852

1-cyano-2-iminocyclopentane

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

C1CC(C(=N)C1)C#N

InChI

InChI=1S/C6H8N2/c7-4-5-2-1-3-6(5)8/h5,8H,1-3H2

InChIKey

FRMJZJUVLPFLAB-UHFFFAOYSA-N

Compound name

2-iminocyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 311
Patents: 108.06875 Da
Monoisotopic Mass: 0.5
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]+	109.07603	122.6
[M+Na]+	131.05797	131.8
[M-H]-	107.06147	125.9
[M+NH4]+	126.10257	144.5
[M+K]+	147.03191	129.2
[M+H-H2O]+	91.066010	110.9
[M+HCOO]-	153.06695	143.4
[M+CH3COO]-	167.08260	182.8
[M+Na-2H]-	129.04342	127.6
[M]+	108.06820	113.6
[M]-	108.06930	113.6

Literature stripe

literature stripe

Patent stripe

patents stripe