CID 60986793

2375258-73-2

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)(C)CCN(C)CCC(=O)O

InChI

InChI=1S/C10H21NO2/c1-10(2,3)6-8-11(4)7-5-9(12)13/h5-8H2,1-4H3,(H,12,13)

InChIKey

WELWNMPSMBGXFE-UHFFFAOYSA-N

Compound name

3-[3,3-dimethylbutyl(methyl)amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.15723 Da
Monoisotopic Mass: -0.4
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]+	188.16451	145.7
[M+Na]+	210.14645	153.3
[M+NH4]+	205.19105	152.0
[M+K]+	226.12039	149.6
[M-H]-	186.14995	144.0
[M+Na-2H]-	208.13190	147.6
[M]+	187.15668	146.0
[M]-	187.15778	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe