CID 3060515

Brn 4456052

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C1COCC2=NN=C(N21)C3=CC=CO3

InChI

InChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2

InChIKey

UUPGWDMVJYHKKP-UHFFFAOYSA-N

Compound name

3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.06947 Da
Monoisotopic Mass: -0.4
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]+	192.076746	135.2
[M+Na]+	214.058688	145.3
[M-H]-	190.062194	140.6
[M+NH4]+	209.103293	152.4
[M+K]+	230.032628	145.3
[M+H-H2O]+	174.066730	127.6
[M+HCOO]-	236.067671	155.8
[M+CH3COO]-	250.083321	149.2
[M+Na-2H]-	212.044136	142.2
[M]+	191.06892142	137.5
[M]-	191.07001858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.