CID 16227981

5910-56-5

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

CC(C)(C)C(=O)NCCC(=O)O

InChI

InChI=1S/C8H15NO3/c1-8(2,3)7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)

InChIKey

TYDIQYQCSVGLNJ-UHFFFAOYSA-N

Compound name

3-(2,2-dimethylpropanoylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 173.1052 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]+	174.11248	139.4
[M+Na]+	196.09442	146.4
[M+NH4]+	191.13902	144.8
[M+K]+	212.06836	144.0
[M-H]-	172.09792	136.4
[M+Na-2H]-	194.07987	140.6
[M]+	173.10465	139.0
[M]-	173.10575	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe