CID 10465149

2,3-dimethyl-6-nitro-2h-indazole

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CC1=C2C=CC(=CC2=NN1C)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-6-8-4-3-7(12(13)14)5-9(8)10-11(6)2/h3-5H,1-2H3
InChIKey
JHGRUPGVUMAQQU-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6-nitroindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

191.06947 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 136.7
[M+Na]+ 214.058688 147.7
[M-H]- 190.062194 140.1
[M+NH4]+ 209.103293 156.4
[M+K]+ 230.032628 141.1
[M+H-H2O]+ 174.066730 134.6
[M+HCOO]- 236.067671 161.9
[M+CH3COO]- 250.083321 178.6
[M+Na-2H]- 212.044136 146.0
[M]+ 191.06892142 138.4
[M]- 191.07001858 138.4
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