CID 222863

63203-48-5

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CCOC(=O)C1(CCCCC1)N

InChI

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

InChIKey

KUAFMPWKUNNUEC-UHFFFAOYSA-N

Compound name

ethyl 1-aminocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 171.12593 Da
Monoisotopic Mass: 1.2
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	139.6
[M+Na]+	194.11515	148.2
[M+NH4]+	189.15975	148.9
[M+K]+	210.08909	141.3
[M-H]-	170.11865	141.1
[M+Na-2H]-	192.10060	145.0
[M]+	171.12538	141.0
[M]-	171.12648	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe