CID 2999137

159494-27-6

Structural Information

Molecular Formula

C₇H₁₀N₄O₂

SMILES

C1CC(OC1)N2C(=O)N=C(C=N2)N

InChI

InChI=1S/C7H10N4O2/c8-5-4-9-11(7(12)10-5)6-2-1-3-13-6/h4,6H,1-3H2,(H2,8,10,12)

InChIKey

JSPJPNQZMGMWJV-UHFFFAOYSA-N

Compound name

5-amino-2-(oxolan-2-yl)-1,2,4-triazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 182.08037 Da
Monoisotopic Mass: -0.5
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]+	183.08765	136.7
[M+Na]+	205.06959	148.1
[M+NH4]+	200.11419	143.2
[M+K]+	221.04353	145.9
[M-H]-	181.07309	139.3
[M+Na-2H]-	203.05504	142.2
[M]+	182.07982	138.6
[M]-	182.08092	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.