CID 222466

Butyl oxamate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CCCCOC(=O)C(=O)N

InChI

InChI=1S/C6H11NO3/c1-2-3-4-10-6(9)5(7)8/h2-4H2,1H3,(H2,7,8)

InChIKey

JQOLMUGUXNNIOR-UHFFFAOYSA-N

Compound name

butyl 2-amino-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 145.0739 Da
Monoisotopic Mass: 0.7
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	130.5
[M+Na]+	168.06312	137.1
[M-H]-	144.06662	130.4
[M+NH4]+	163.10772	151.4
[M+K]+	184.03706	137.6
[M+H-H2O]+	128.07116	125.5
[M+HCOO]-	190.07210	153.8
[M+CH3COO]-	204.08775	175.8
[M+Na-2H]-	166.04857	134.2
[M]+	145.07335	131.4
[M]-	145.07445	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe