CID 4180752

(diethylamino)(oxo)acetic acid

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CCN(CC)C(=O)C(=O)O

InChI

InChI=1S/C6H11NO3/c1-3-7(4-2)5(8)6(9)10/h3-4H2,1-2H3,(H,9,10)

InChIKey

DCGDRZCGQSDERQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 145.0739 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]+	146.08118	130.1
[M+Na]+	168.06312	136.5
[M-H]-	144.06662	130.7
[M+NH4]+	163.10772	151.2
[M+K]+	184.03706	137.9
[M+H-H2O]+	128.07116	125.2
[M+HCOO]-	190.07210	153.2
[M+CH3COO]-	204.08775	177.4
[M+Na-2H]-	166.04857	133.7
[M]+	145.07335	131.4
[M]-	145.07445	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe