CID 11287789

Ethyl 2-amino-3-cyclohexylpropanoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCOC(=O)C(CC1CCCCC1)N

InChI

InChI=1S/C11H21NO2/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h9-10H,2-8,12H2,1H3

InChIKey

NYJXAHCVTRDWEF-UHFFFAOYSA-N

Compound name

ethyl 2-amino-3-cyclohexylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 199.15723 Da
Monoisotopic Mass: 2.7
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]+	200.16451	148.3
[M+Na]+	222.14645	155.9
[M+NH4]+	217.19105	155.7
[M+K]+	238.12039	151.1
[M-H]-	198.14995	149.4
[M+Na-2H]-	220.13190	151.2
[M]+	199.15668	149.3
[M]-	199.15778	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe