CID 16787139

953752-61-9

Structural Information

Molecular Formula

C₈H₁₅NO₃

SMILES

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

InChI

InChI=1S/C8H15NO3/c1-6(2)9(3)7(10)4-5-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)

InChIKey

DVYCMKHWPGTXSP-UHFFFAOYSA-N

Compound name

4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.1052 Da
Monoisotopic Mass: 0.0
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	139.5
[M+Na]+	196.09442	146.7
[M+NH4]+	191.13902	145.3
[M+K]+	212.06836	144.3
[M-H]-	172.09792	137.3
[M+Na-2H]-	194.07987	140.7
[M]+	173.10465	139.4
[M]-	173.10575	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe