CID 3067109

1h-indazol-3-amine, n,n-diethyl-6-nitro-

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CCN(CC)C1=NNC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O2/c1-3-14(4-2)11-9-6-5-8(15(16)17)7-10(9)12-13-11/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKey
CZDJORZAGTWKLE-UHFFFAOYSA-N
Compound name
N,N-diethyl-6-nitro-1H-indazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.11168 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 148.9
[M+Na]+ 257.100898 156.7
[M-H]- 233.104404 151.6
[M+NH4]+ 252.145503 166.0
[M+K]+ 273.074838 150.1
[M+H-H2O]+ 217.108940 145.7
[M+HCOO]- 279.109881 173.4
[M+CH3COO]- 293.125531 189.0
[M+Na-2H]- 255.086346 157.3
[M]+ 234.11113142 149.5
[M]- 234.11222858 149.5
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

No patent data available for this compound.