CID 13832

999-29-1

Structural Information

Molecular Formula

C₆H₉N₃O₃

SMILES

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

InChI

InChI=1S/C6H9N3O3/c1-2-12-6(11)4-8-5(10)3-9-7/h3H,2,4H2,1H3,(H,8,10)

InChIKey

GSSAWWWUJAYYLB-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-diazoacetyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 171.06439 Da
Monoisotopic Mass: -0.1
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]+	172.071666	134.3
[M+Na]+	194.053608	140.1
[M-H]-	170.057114	136.0
[M+NH4]+	189.098213	153.9
[M+K]+	210.027548	135.8
[M+H-H2O]+	154.061650	133.1
[M+HCOO]-	216.062591	162.6
[M+CH3COO]-	230.078241	178.2
[M+Na-2H]-	192.039056	141.8
[M]+	171.06384142	132.9
[M]-	171.06493858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe