CID 75725

2566-34-9

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C)(C(=O)O)NC

InChI

InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)

InChIKey

DLAMVQGYEVKIRE-UHFFFAOYSA-N

Compound name

2-methyl-2-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 225
References: 3603
Patents: 117.07898 Da
Monoisotopic Mass: -2.3
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]+	118.086256	123.6
[M+Na]+	140.068198	130.5
[M-H]-	116.071704	123.0
[M+NH4]+	135.112803	145.3
[M+K]+	156.042138	130.7
[M+H-H2O]+	100.076240	119.8
[M+HCOO]-	162.077181	145.4
[M+CH3COO]-	176.092831	170.4
[M+Na-2H]-	138.053646	130.3
[M]+	117.07843142	122.8
[M]-	117.07952858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe