CID 409963

Ethyl 4-aminocyclohexanecarboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C1CCC(CC1)N

InChI

InChI=1S/C9H17NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8H,2-6,10H2,1H3

InChIKey

WASRJUXSLHUONH-UHFFFAOYSA-N

Compound name

ethyl 4-aminocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 527
Patents: 171.12593 Da
Monoisotopic Mass: 0.8
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	138.9
[M+Na]+	194.11515	147.7
[M+NH4]+	189.15975	146.7
[M+K]+	210.08909	142.7
[M-H]-	170.11865	140.4
[M+Na-2H]-	192.10060	142.5
[M]+	171.12538	140.1
[M]-	171.12648	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe