CID 15105330

133365-36-3

Structural Information

Molecular Formula

C₅H₇N₃O₂

SMILES

C1COCC2=NNC(=O)N21

InChI

InChI=1S/C5H7N3O2/c9-5-7-6-4-3-10-2-1-8(4)5/h1-3H2,(H,7,9)

InChIKey

JTBPOWLXXJXBSN-UHFFFAOYSA-N

Compound name

2,5,6,8-tetrahydro-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 141.05383 Da
Monoisotopic Mass: -1.0
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]+	142.06111	124.7
[M+Na]+	164.04305	134.0
[M-H]-	140.04655	124.4
[M+NH4]+	159.08765	142.9
[M+K]+	180.01699	132.9
[M+H-H2O]+	124.05109	117.5
[M+HCOO]-	186.05203	142.5
[M+CH3COO]-	200.06768	137.8
[M+Na-2H]-	162.02850	132.7
[M]+	141.05328	122.6
[M]-	141.05438	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe