CID 1894

7-nitroindazole-2-carboxamidine

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC2=CN(N=C2C(=C1)[N+](=O)[O-])C(=N)N
InChI
InChI=1S/C8H7N5O2/c9-8(10)12-4-5-2-1-3-6(13(14)15)7(5)11-12/h1-4H,(H3,9,10)
InChIKey
GFYAZUABYOOPCN-UHFFFAOYSA-N
Compound name
7-nitroindazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

205.05997 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 136.1
[M+Na]+ 228.04919 144.7
[M-H]- 204.05269 138.9
[M+NH4]+ 223.09379 153.7
[M+K]+ 244.02313 137.8
[M+H-H2O]+ 188.05723 133.3
[M+HCOO]- 250.05817 162.3
[M+CH3COO]- 264.07382 182.4
[M+Na-2H]- 226.03464 146.0
[M]+ 205.05942 133.2
[M]- 205.06052 133.2
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.