CID 23121

Oxamic acid, n-amidino-n-methyl-

Structural Information

Molecular Formula

C₄H₇N₃O₃

SMILES

CN(C(=O)C(=O)N)C(=O)N

InChI

InChI=1S/C4H7N3O3/c1-7(4(6)10)3(9)2(5)8/h1H3,(H2,5,8)(H2,6,10)

InChIKey

JKQNRXRIPRZMII-UHFFFAOYSA-N

Compound name

N'-carbamoyl-N'-methyloxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 145.04874 Da
Monoisotopic Mass: -1.2
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]+	146.056016	128.6
[M+Na]+	168.037958	134.5
[M-H]-	144.041464	129.8
[M+NH4]+	163.082563	148.8
[M+K]+	184.011898	136.5
[M+H-H2O]+	128.046000	122.7
[M+HCOO]-	190.046941	153.6
[M+CH3COO]-	204.062591	182.3
[M+Na-2H]-	166.023406	130.5
[M]+	145.04819142	125.8
[M]-	145.04928858	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe