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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.0
[M+Na]+ 200.04305 143.1
[M-H]- 176.04655 136.9
[M+NH4]+ 195.08765 149.4
[M+K]+ 216.01699 142.4
[M+H-H2O]+ 160.05109 124.4
[M+HCOO]- 222.05203 155.6
[M+CH3COO]- 236.06768 147.0
[M+Na-2H]- 198.02850 141.4
[M]+ 177.05328 136.0
[M]- 177.05438 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe