CID 11535692

19878-18-3

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

CCOC(=O)C1CCC(CC1)CN

InChI

InChI=1S/C10H19NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h8-9H,2-7,11H2,1H3

InChIKey

YKPFISPUYINSAF-UHFFFAOYSA-N

Compound name

ethyl 4-(aminomethyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 103
Patents: 185.14159 Da
Monoisotopic Mass: 1.0
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]+	186.14887	143.8
[M+Na]+	208.13081	147.7
[M-H]-	184.13431	145.9
[M+NH4]+	203.17541	162.9
[M+K]+	224.10475	146.8
[M+H-H2O]+	168.13885	137.7
[M+HCOO]-	230.13979	163.6
[M+CH3COO]-	244.15544	184.1
[M+Na-2H]-	206.11626	145.7
[M]+	185.14104	139.8
[M]-	185.14214	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe