CID 3053027

As-triazine, 5-(2-furyl)-3-methoxy-

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

COC1=NC(=CN=N1)C2=CC=CO2

InChI

InChI=1S/C8H7N3O2/c1-12-8-10-6(5-9-11-8)7-3-2-4-13-7/h2-5H,1H3

InChIKey

GFYLFMFTXZTSBV-UHFFFAOYSA-N

Compound name

5-(furan-2-yl)-3-methoxy-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.05383 Da
Monoisotopic Mass: 0.3
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]+	178.06111	134.1
[M+Na]+	200.04305	148.4
[M+NH4]+	195.08765	141.7
[M+K]+	216.01699	144.8
[M-H]-	176.04655	137.2
[M+Na-2H]-	198.02850	142.5
[M]+	177.05328	137.0
[M]-	177.05438	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe