CID 53399334

6-methoxy-1h-indazole-5-carboxylic acid

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

COC1=C(C=C2C=NNC2=C1)C(=O)O

InChI

InChI=1S/C9H8N2O3/c1-14-8-3-7-5(4-10-11-7)2-6(8)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChIKey

YTPLCCONLYBFTE-UHFFFAOYSA-N

Compound name

6-methoxy-1H-indazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 192.0535 Da
Monoisotopic Mass: 1.1
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]+	193.06078	138.1
[M+Na]+	215.04272	150.4
[M+NH4]+	210.08732	144.9
[M+K]+	231.01666	147.7
[M-H]-	191.04622	137.3
[M+Na-2H]-	213.02817	142.9
[M]+	192.05295	139.3
[M]-	192.05405	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe