CID 60082973

2094938-79-9

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)CC1CCC(CC1)CN

InChI

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

InChIKey

AJTIAFZCKWPBBR-UHFFFAOYSA-N

Compound name

methyl 2-[4-(aminomethyl)cyclohexyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 185.14159 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]+	186.14887	143.3
[M+Na]+	208.13081	151.9
[M+NH4]+	203.17541	151.0
[M+K]+	224.10475	146.7
[M-H]-	184.13431	144.7
[M+Na-2H]-	206.11626	146.6
[M]+	185.14104	144.5
[M]-	185.14214	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe