CID 13314536

88807-79-8

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-6(2,3)7(4,8)5(9)10/h8H2,1-4H3,(H,9,10)

InChIKey

QIGAECVGPWRCHY-UHFFFAOYSA-N

Compound name

2-amino-2,3,3-trimethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 145.11028 Da
Monoisotopic Mass: -1.5
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	132.7
[M+Na]+	168.09950	140.1
[M+NH4]+	163.14410	138.9
[M+K]+	184.07344	138.1
[M-H]-	144.10300	130.0
[M+Na-2H]-	166.08495	134.6
[M]+	145.10973	132.7
[M]-	145.11083	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe