CID 28566361

2-(cyclopentylamino)acetonitrile

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CCC(C1)NCC#N

InChI

InChI=1S/C7H12N2/c8-5-6-9-7-3-1-2-4-7/h7,9H,1-4,6H2

InChIKey

WOBHGFXOOLANIC-UHFFFAOYSA-N

Compound name

2-(cyclopentylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 124.10005 Da
Monoisotopic Mass: 0.9
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	130.5
[M+Na]+	147.08927	139.2
[M+NH4]+	142.13387	136.0
[M+K]+	163.06321	131.6
[M-H]-	123.09277	125.2
[M+Na-2H]-	145.07472	132.9
[M]+	124.09950	129.1
[M]-	124.10060	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe