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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.118276	160.5
[M+Na]+	299.100218	168.4
[M-H]-	275.103724	165.0
[M+NH4]+	294.144823	174.6
[M+K]+	315.074158	166.4
[M+H-H2O]+	259.108260	152.4
[M+HCOO]-	321.109201	177.4
[M+CH3COO]-	335.124851	194.6
[M+Na-2H]-	297.085666	163.8
[M]+	276.11045142	161.6
[M]-	276.11154858	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe