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]+ 225.12337 150.5
[M+Na]+ 247.10531 160.6
[M+NH4]+ 242.14991 157.2
[M+K]+ 263.07925 157.9
[M-H]- 223.10881 149.7
[M+Na-2H]- 245.09076 152.4
[M]+ 224.11554 151.3
[M]- 224.11664 151.3
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.