CID 44171789

219310-12-0

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

C1CCC(CC1)C[C@@H](CC(=O)O)N

InChI

InChI=1S/C10H19NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h8-9H,1-7,11H2,(H,12,13)/t9-/m0/s1

InChIKey

KFJPIMWRYYGPGM-VIFPVBQESA-N

Compound name

(3S)-3-amino-4-cyclohexylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 185.14159 Da
Monoisotopic Mass: -0.3
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	151.3
[M+NH4]+	203.17541	151.3
[M+K]+	224.10475	147.1
[M-H]-	184.13431	144.7
[M+Na-2H]-	206.11626	146.6
[M]+	185.14104	144.8
[M]-	185.14214	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe