CID 53951901

Ethyl 3-diazo-2-oxopropanoate

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CCOC(=O)C(=O)C=[N+]=[N-]

InChI

InChI=1S/C5H6N2O3/c1-2-10-5(9)4(8)3-7-6/h3H,2H2,1H3

InChIKey

JFADAFQNHSDFKQ-UHFFFAOYSA-N

Compound name

ethyl 3-diazo-2-oxopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 142.03784 Da
Monoisotopic Mass: 0.6
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]+	143.045116	126.3
[M+Na]+	165.027058	133.5
[M-H]-	141.030564	128.3
[M+NH4]+	160.071663	147.5
[M+K]+	181.000998	129.6
[M+H-H2O]+	125.035100	126.0
[M+HCOO]-	187.036041	154.1
[M+CH3COO]-	201.051691	171.1
[M+Na-2H]-	163.012506	134.1
[M]+	142.03729142	125.6
[M]-	142.03838858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe