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

26
Patents

263.0906 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09788 153.6
[M+Na]+ 286.07982 165.9
[M+NH4]+ 281.12442 159.7
[M+K]+ 302.05376 166.4
[M-H]- 262.08332 154.1
[M+Na-2H]- 284.06527 158.3
[M]+ 263.09005 155.2
[M]- 263.09115 155.2
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

patents stripe