CID 18453413

2-(cis-3-aminocyclopentyl)acetonitrile hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1C[C@H](C[C@H]1CC#N)N

InChI

InChI=1S/C7H12N2/c8-4-3-6-1-2-7(9)5-6/h6-7H,1-3,5,9H2/t6-,7-/m1/s1

InChIKey

MXDKDPXBTLQXNF-RNFRBKRXSA-N

Compound name

2-[(1S,3R)-3-aminocyclopentyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 124.10005 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]+	125.10733	129.1
[M+Na]+	147.08927	137.9
[M+NH4]+	142.13387	134.5
[M+K]+	163.06321	130.8
[M-H]-	123.09277	123.8
[M+Na-2H]-	145.07472	131.1
[M]+	124.09950	127.8
[M]-	124.10060	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe