CID 59233580

Tert-butyl 4-nitro-1h-indazole-1-carboxylate

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CC(C)(C)OC(=O)N1C2=C(C=N1)C(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-9-5-4-6-10(15(17)18)8(9)7-13-14/h4-7H,1-3H3
InChIKey
XXEBQBAOQGKRMP-UHFFFAOYSA-N
Compound name
tert-butyl 4-nitroindazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

263.0906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.097876 156.8
[M+Na]+ 286.079818 165.8
[M-H]- 262.083324 160.0
[M+NH4]+ 281.124423 173.2
[M+K]+ 302.053758 160.0
[M+H-H2O]+ 246.087860 154.6
[M+HCOO]- 308.088801 179.0
[M+CH3COO]- 322.104451 188.6
[M+Na-2H]- 284.065266 165.8
[M]+ 263.09005142 159.7
[M]- 263.09114858 159.7
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