CID 131606701

2091599-41-4

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCOC(=O)C1=NN(C2=C1C(CCC2)O)C
InChI
InChI=1S/C11H16N2O3/c1-3-16-11(15)10-9-7(13(2)12-10)5-4-6-8(9)14/h8,14H,3-6H2,1-2H3
InChIKey
WEHSEHMAFRVMHQ-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 150.3
[M+Na]+ 247.105308 158.4
[M-H]- 223.108814 150.9
[M+NH4]+ 242.149913 168.5
[M+K]+ 263.079248 156.2
[M+H-H2O]+ 207.113350 143.7
[M+HCOO]- 269.114291 167.6
[M+CH3COO]- 283.129941 187.2
[M+Na-2H]- 245.090756 152.4
[M]+ 224.11554142 150.9
[M]- 224.11663858 150.9
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.