CID 90219

Brn 1018773

Structural Information

Molecular Formula
C8H9N5O4
SMILES
CN1C(=NN=C1NCO)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N5O4/c1-12-7(10-11-8(12)9-4-14)5-2-3-6(17-5)13(15)16/h2-3,14H,4H2,1H3,(H,9,11)
InChIKey
KLSJGJFSWDJEOE-UHFFFAOYSA-N
Compound name
[[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06546 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07274 146.1
[M+Na]+ 262.05468 157.5
[M+NH4]+ 257.09928 151.2
[M+K]+ 278.02862 161.0
[M-H]- 238.05818 148.9
[M+Na-2H]- 260.04013 151.0
[M]+ 239.06491 148.0
[M]- 239.06601 148.0
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

No patent data available for this compound.