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]+ 206.067246 136.1
[M+Na]+ 228.049188 144.7
[M-H]- 204.052694 138.9
[M+NH4]+ 223.093793 153.7
[M+K]+ 244.023128 137.8
[M+H-H2O]+ 188.057230 133.3
[M+HCOO]- 250.058171 162.3
[M+CH3COO]- 264.073821 182.4
[M+Na-2H]- 226.034636 146.0
[M]+ 205.05942142 133.2
[M]- 205.06051858 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

literature stripe

Patent stripe

patents stripe