CID 2733735

3-amino-5-methylhexanoic acid

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CC(C)CC(CC(=O)O)N

InChI

InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)

InChIKey

MLYMSIKVLAPCAK-UHFFFAOYSA-N

Compound name

3-amino-5-methylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 894
Patents: 145.11028 Da
Monoisotopic Mass: -1.7
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]+	146.11756	133.5
[M+Na]+	168.09950	140.7
[M+NH4]+	163.14410	139.8
[M+K]+	184.07344	137.9
[M-H]-	144.10300	131.6
[M+Na-2H]-	166.08495	134.7
[M]+	145.10973	133.4
[M]-	145.11083	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe