CID 67067781

1279089-06-3

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

COC1=CC=CN2C1=NNC2=O

InChI

InChI=1S/C7H7N3O2/c1-12-5-3-2-4-10-6(5)8-9-7(10)11/h2-4H,1H3,(H,9,11)

InChIKey

FGCFLFXNOJDGQS-UHFFFAOYSA-N

Compound name

8-methoxy-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 165.05383 Da
Monoisotopic Mass: 0.2
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]+	166.061106	129.4
[M+Na]+	188.043048	141.8
[M-H]-	164.046554	129.8
[M+NH4]+	183.087653	148.6
[M+K]+	204.016988	138.6
[M+H-H2O]+	148.051090	122.3
[M+HCOO]-	210.052031	151.9
[M+CH3COO]-	224.067681	143.7
[M+Na-2H]-	186.028496	138.2
[M]+	165.05328142	132.2
[M]-	165.05437858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe