CID 82430

Dtxsid90906784

Structural Information

Molecular Formula
C7H7N5O3
SMILES
CN1C(=NN=C1N)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C7H7N5O3/c1-11-6(9-10-7(11)8)4-2-3-5(15-4)12(13)14/h2-3H,1H3,(H2,8,10)
InChIKey
MYHQFJBXSAMNSD-UHFFFAOYSA-N
Compound name
4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.05489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.062166 138.5
[M+Na]+ 232.044108 148.8
[M-H]- 208.047614 143.7
[M+NH4]+ 227.088713 154.4
[M+K]+ 248.018048 143.8
[M+H-H2O]+ 192.052150 135.0
[M+HCOO]- 254.053091 164.9
[M+CH3COO]- 268.068741 180.3
[M+Na-2H]- 230.029556 146.4
[M]+ 209.05434142 139.4
[M]- 209.05543858 139.4
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