CID 12989106

Methyl 3-amino-5-methylhexanoate hydrochloride

Structural Information

Molecular Formula

C₈H₁₇NO₂

SMILES

CC(C)C[C@@H](CC(=O)OC)N

InChI

InChI=1S/C8H17NO2/c1-6(2)4-7(9)5-8(10)11-3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1

InChIKey

LLLSCIXQSDYKEB-ZETCQYMHSA-N

Compound name

methyl (3S)-3-amino-5-methylhexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 159.12593 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]+	160.13321	137.5
[M+Na]+	182.11515	145.2
[M+NH4]+	177.15975	144.1
[M+K]+	198.08909	141.8
[M-H]-	158.11865	136.2
[M+Na-2H]-	180.10060	139.2
[M]+	159.12538	137.8
[M]-	159.12648	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe