CID 69504317

1500558-49-5

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C1CCC(CC1)(CCN)CC(=O)O

InChI

InChI=1S/C10H19NO2/c11-7-6-10(8-9(12)13)4-2-1-3-5-10/h1-8,11H2,(H,12,13)

InChIKey

OFESFQMJGZJFQT-UHFFFAOYSA-N

Compound name

2-[1-(2-aminoethyl)cyclohexyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 185.14159 Da
Monoisotopic Mass: -0.5
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	144.1
[M+Na]+	208.13081	151.8
[M+NH4]+	203.17541	152.8
[M+K]+	224.10475	145.1
[M-H]-	184.13431	144.9
[M+Na-2H]-	206.11626	148.6
[M]+	185.14104	145.1
[M]-	185.14214	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe