CID 129103674

2408973-88-4

Structural Information

Molecular Formula
C14H16N2O4
SMILES
COC(=O)C1=NN(C2=C1C=C(C=C2)O)C3CCCCO3
InChI
InChI=1S/C14H16N2O4/c1-19-14(18)13-10-8-9(17)5-6-11(10)16(15-13)12-4-2-3-7-20-12/h5-6,8,12,17H,2-4,7H2,1H3
InChIKey
PDSUSFAEDBRZAB-UHFFFAOYSA-N
Compound name
methyl 5-hydroxy-1-(oxan-2-yl)indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.111 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 161.1
[M+Na]+ 299.10022 173.5
[M+NH4]+ 294.14482 167.8
[M+K]+ 315.07416 170.5
[M-H]- 275.10372 163.9
[M+Na-2H]- 297.08567 165.5
[M]+ 276.11045 163.4
[M]- 276.11155 163.4
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

patents stripe