CID 393585

Nsc695656

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CCOC(=O)C1(CCC2=C(C1)C(=O)NN2)N
InChI
InChI=1S/C10H15N3O3/c1-2-16-9(15)10(11)4-3-7-6(5-10)8(14)13-12-7/h2-5,11H2,1H3,(H2,12,13,14)
InChIKey
ZTHZEYRQMZGQEG-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 148.8
[M+Na]+ 248.100558 156.3
[M-H]- 224.104064 147.6
[M+NH4]+ 243.145163 167.3
[M+K]+ 264.074498 152.8
[M+H-H2O]+ 208.108600 142.8
[M+HCOO]- 270.109541 165.5
[M+CH3COO]- 284.125191 184.0
[M+Na-2H]- 246.086006 152.4
[M]+ 225.11079142 144.7
[M]- 225.11188858 144.7
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

No patent data available for this compound.