CID 9859055

3-amino-4-cyclohexyl-2-hydroxybutanoic acid hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

C1CCC(CC1)CC(C(C(=O)O)O)N

InChI

InChI=1S/C10H19NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h7-9,12H,1-6,11H2,(H,13,14)

InChIKey

LQHZTNXHEVLTBR-UHFFFAOYSA-N

Compound name

3-amino-4-cyclohexyl-2-hydroxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 201.13649 Da
Monoisotopic Mass: -0.9
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]+	202.143766	148.2
[M+Na]+	224.125708	149.7
[M-H]-	200.129214	147.1
[M+NH4]+	219.170313	164.6
[M+K]+	240.099648	148.5
[M+H-H2O]+	184.133750	142.3
[M+HCOO]-	246.134691	163.2
[M+CH3COO]-	260.150341	182.7
[M+Na-2H]-	222.111156	147.3
[M]+	201.13594142	140.3
[M]-	201.13703858	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe