CID 11008044

N,n-dimethyl-l-valine

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1

InChIKey

APGLTERDKORUHK-LURJTMIESA-N

Compound name

(2S)-2-(dimethylamino)-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1177
Patents: 145.11028 Da
Monoisotopic Mass: -1.1
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	133.1
[M+Na]+	168.09950	140.9
[M+NH4]+	163.14410	139.9
[M+K]+	184.07344	138.3
[M-H]-	144.10300	131.8
[M+Na-2H]-	166.08495	135.1
[M]+	145.10973	133.4
[M]-	145.11083	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe