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]+ 226.11862 148.8
[M+Na]+ 248.10056 156.3
[M-H]- 224.10406 147.6
[M+NH4]+ 243.14516 167.3
[M+K]+ 264.07450 152.8
[M+H-H2O]+ 208.10860 142.8
[M+HCOO]- 270.10954 165.5
[M+CH3COO]- 284.12519 184.0
[M+Na-2H]- 246.08601 152.4
[M]+ 225.11079 144.7
[M]- 225.11189 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.