CID 15512485

60175-04-4

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCOC(=O)CC1(CCCCC1)CN

InChI

InChI=1S/C11H21NO2/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3

InChIKey

PQCNPWAMVMHDID-UHFFFAOYSA-N

Compound name

ethyl 2-[1-(aminomethyl)cyclohexyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 199.15723 Da
Monoisotopic Mass: 1.9
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]+	200.16451	148.3
[M+Na]+	222.14645	151.9
[M-H]-	198.14995	150.2
[M+NH4]+	217.19105	168.6
[M+K]+	238.12039	150.9
[M+H-H2O]+	182.15449	142.8
[M+HCOO]-	244.15543	167.9
[M+CH3COO]-	258.17108	185.5
[M+Na-2H]-	220.13190	151.6
[M]+	199.15668	144.6
[M]-	199.15778	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe