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

28
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 156.8
[M+Na]+ 286.07982 165.8
[M-H]- 262.08332 160.0
[M+NH4]+ 281.12442 173.2
[M+K]+ 302.05376 160.0
[M+H-H2O]+ 246.08786 154.6
[M+HCOO]- 308.08880 179.0
[M+CH3COO]- 322.10445 188.6
[M+Na-2H]- 284.06527 165.8
[M]+ 263.09005 159.7
[M]- 263.09115 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