CID 44171789

2171204-32-1

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: 38
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	144.9
[M+Na]+	208.13081	147.1
[M-H]-	184.13431	145.1
[M+NH4]+	203.17541	162.7
[M+K]+	224.10475	145.7
[M+H-H2O]+	168.13885	138.8
[M+HCOO]-	230.13979	162.2
[M+CH3COO]-	244.15544	182.0
[M+Na-2H]-	206.11626	145.6
[M]+	185.14104	138.0
[M]-	185.14214	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe