CID 452042

Ohmefurtriazcarb

Structural Information

Molecular Formula
C8H8N4O3
SMILES
C1=C(OC(=C1)N2C=NC(=N2)C(=O)N)CO
InChI
InChI=1S/C8H8N4O3/c9-7(14)8-10-4-12(11-8)6-2-1-5(3-13)15-6/h1-2,4,13H,3H2,(H2,9,14)
InChIKey
QKOHURYXEXETFC-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)furan-2-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05965 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06693 140.1
[M+Na]+ 231.04887 150.2
[M-H]- 207.05237 143.4
[M+NH4]+ 226.09347 155.9
[M+K]+ 247.02281 149.0
[M+H-H2O]+ 191.05691 132.1
[M+HCOO]- 253.05785 163.2
[M+CH3COO]- 267.07350 182.7
[M+Na-2H]- 229.03432 144.1
[M]+ 208.05910 142.3
[M]- 208.06020 142.3
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.