CID 21840386

1072856-85-9

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C1(CCCC1)CN

InChI

InChI=1S/C9H17NO2/c1-2-12-8(11)9(7-10)5-3-4-6-9/h2-7,10H2,1H3

InChIKey

AKUKXMNTGXTIAH-UHFFFAOYSA-N

Compound name

ethyl 1-(aminomethyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 171.12593 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]+	172.13321	139.7
[M+Na]+	194.11515	145.0
[M-H]-	170.11865	142.2
[M+NH4]+	189.15975	163.0
[M+K]+	210.08909	144.3
[M+H-H2O]+	154.12319	134.8
[M+HCOO]-	216.12413	162.0
[M+CH3COO]-	230.13978	179.2
[M+Na-2H]-	192.10060	142.9
[M]+	171.12538	137.3
[M]-	171.12648	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe