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 160.5
[M+Na]+ 299.10022 168.4
[M-H]- 275.10372 165.0
[M+NH4]+ 294.14482 174.6
[M+K]+ 315.07416 166.4
[M+H-H2O]+ 259.10826 152.4
[M+HCOO]- 321.10920 177.4
[M+CH3COO]- 335.12485 194.6
[M+Na-2H]- 297.08567 163.8
[M]+ 276.11045 161.6
[M]- 276.11155 161.6
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