CID 536687

140706-47-4

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

CC(=O)NC1=NON=C1N

InChI

InChI=1S/C4H6N4O2/c1-2(9)6-4-3(5)7-10-8-4/h1H3,(H2,5,7)(H,6,8,9)

InChIKey

GVZQUWHSBVLLCC-UHFFFAOYSA-N

Compound name

N-(4-amino-1,2,5-oxadiazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 142.04907 Da
Monoisotopic Mass: -0.2
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]+	143.05635	126.1
[M+Na]+	165.03829	134.7
[M-H]-	141.04179	128.0
[M+NH4]+	160.08289	144.6
[M+K]+	181.01223	135.3
[M+H-H2O]+	125.04633	118.8
[M+HCOO]-	187.04727	150.5
[M+CH3COO]-	201.06292	175.4
[M+Na-2H]-	163.02374	133.0
[M]+	142.04852	125.7
[M]-	142.04962	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe