CID 91489

817-99-2

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

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

InChI

InChI=1S/C4H6N4O2/c5-3(9)1-7-4(10)2-8-6/h2H,1H2,(H2,5,9)(H,7,10)

InChIKey

JSBXCTZQDYMKJQ-UHFFFAOYSA-N

Compound name

2-[(2-diazoacetyl)amino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 142.04907 Da
Monoisotopic Mass: -1.3
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]+	143.05635	124.5
[M+Na]+	165.03829	130.2
[M-H]-	141.04179	125.8
[M+NH4]+	160.08289	144.4
[M+K]+	181.01223	125.6
[M+H-H2O]+	125.04633	123.2
[M+HCOO]-	187.04727	153.5
[M+CH3COO]-	201.06292	174.8
[M+Na-2H]-	163.02374	132.2
[M]+	142.04852	119.1
[M]-	142.04962	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe