CID 5105431

88852-94-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

CCCCC(C)(C(=O)O)N

InChI

InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)

InChIKey

LKZQHZQXROBVOO-UHFFFAOYSA-N

Compound name

2-amino-2-methylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 331
Patents: 145.11028 Da
Monoisotopic Mass: -1.4
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]+	146.117556	133.4
[M+Na]+	168.099498	139.4
[M-H]-	144.103004	131.8
[M+NH4]+	163.144103	153.7
[M+K]+	184.073438	138.7
[M+H-H2O]+	128.107540	129.1
[M+HCOO]-	190.108481	153.9
[M+CH3COO]-	204.124131	175.9
[M+Na-2H]-	166.084946	137.9
[M]+	145.10973142	132.3
[M]-	145.11082858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe