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]+ 235.11896 148.9
[M+Na]+ 257.10090 156.7
[M-H]- 233.10440 151.6
[M+NH4]+ 252.14550 166.0
[M+K]+ 273.07484 150.1
[M+H-H2O]+ 217.10894 145.7
[M+HCOO]- 279.10988 173.4
[M+CH3COO]- 293.12553 189.0
[M+Na-2H]- 255.08635 157.3
[M]+ 234.11113 149.5
[M]- 234.11223 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.