CID 82430

10187-86-7

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

0
Patents

209.05489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06217 138.5
[M+Na]+ 232.04411 148.8
[M-H]- 208.04761 143.7
[M+NH4]+ 227.08871 154.4
[M+K]+ 248.01805 143.8
[M+H-H2O]+ 192.05215 135.0
[M+HCOO]- 254.05309 164.9
[M+CH3COO]- 268.06874 180.3
[M+Na-2H]- 230.02956 146.4
[M]+ 209.05434 139.4
[M]- 209.05544 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