CID 11845092

623565-56-0

Structural Information

Molecular Formula

C₅H₇N₂O₃

SMILES

C1COCC2=[N+]1NOC2=O

InChI

InChI=1S/C5H6N2O3/c8-5-4-3-9-2-1-7(4)6-10-5/h1-3H2/p+1

InChIKey

CQWIABLKKCDQJH-UHFFFAOYSA-O

Compound name

1,4,6,7-tetrahydrooxadiazolo[4,3-c][1,4]oxazin-8-ium-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 143.04567 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]+	144.05295	122.4
[M+Na]+	166.03489	131.5
[M-H]-	142.03839	124.6
[M+NH4]+	161.07949	140.4
[M+K]+	182.00883	126.6
[M+H-H2O]+	126.04293	119.1
[M+HCOO]-	188.04387	140.6
[M+CH3COO]-	202.05952	160.1
[M+Na-2H]-	164.02034	134.1
[M]+	143.04512	120.6
[M]-	143.04622	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe