CID 64526995

855296-25-2

Structural Information

Molecular Formula

C₇H₁₅NO₂

SMILES

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

InChI

InChI=1S/C7H15NO2/c1-7(2,8(3)4)5-6(9)10/h5H2,1-4H3,(H,9,10)

InChIKey

PXLOIBADMRTCHS-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 145.11028 Da
Monoisotopic Mass: -1.9
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	131.9
[M+Na]+	168.099498	138.2
[M-H]-	144.103004	132.5
[M+NH4]+	163.144103	153.2
[M+K]+	184.073438	139.3
[M+H-H2O]+	128.107540	127.6
[M+HCOO]-	190.108481	153.6
[M+CH3COO]-	204.124131	180.0
[M+Na-2H]-	166.084946	136.9
[M]+	145.10973142	133.2
[M]-	145.11082858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe