CID 135415573

Chembl3275244

Structural Information

Molecular Formula

C₃H₆N₄O₂

SMILES

C1/C(=N\N)/NC(=O)NO1

InChI

InChI=1S/C3H6N4O2/c4-6-2-1-9-7-3(8)5-2/h1,4H2,(H2,5,6,7,8)

InChIKey

CVLXIFRZGBIZMG-UHFFFAOYSA-N

Compound name

(5E)-5-hydrazinylidene-1,2,4-oxadiazinan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 130.04907 Da
Monoisotopic Mass: -1.1
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]+	131.05635	125.1
[M+Na]+	153.03829	131.5
[M-H]-	129.04179	124.6
[M+NH4]+	148.08289	141.3
[M+K]+	169.01223	130.6
[M+H-H2O]+	113.04633	117.9
[M+HCOO]-	175.04727	144.4
[M+CH3COO]-	189.06292	169.3
[M+Na-2H]-	151.02374	132.5
[M]+	130.04852	117.5
[M]-	130.04962	117.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.