CID 71302046

1909317-09-4

Structural Information

Molecular Formula

C₇H₁₂N₂

SMILES

C1CCC(C1)(CN)C#N

InChI

InChI=1S/C7H12N2/c8-5-7(6-9)3-1-2-4-7/h1-5,8H2

InChIKey

IYTBULKZSACADZ-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclopentane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 124.10005 Da
Monoisotopic Mass: 0.4
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	127.5
[M+Na]+	147.08927	136.3
[M-H]-	123.09277	130.3
[M+NH4]+	142.13387	150.3
[M+K]+	163.06321	133.2
[M+H-H2O]+	107.09731	116.2
[M+HCOO]-	169.09825	147.4
[M+CH3COO]-	183.11390	184.4
[M+Na-2H]-	145.07472	132.8
[M]+	124.09950	118.6
[M]-	124.10060	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe