CID 27274681

Methyl 6-amino-1h-indazole-3-carboxylate

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

COC(=O)C1=NNC2=C1C=CC(=C2)N

InChI

InChI=1S/C9H9N3O2/c1-14-9(13)8-6-3-2-5(10)4-7(6)11-12-8/h2-4H,10H2,1H3,(H,11,12)

InChIKey

MAHOTWJZRCUWPM-UHFFFAOYSA-N

Compound name

methyl 6-amino-1H-indazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.06947 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]+	192.076746	138.0
[M+Na]+	214.058688	148.4
[M-H]-	190.062194	139.3
[M+NH4]+	209.103293	157.0
[M+K]+	230.032628	145.1
[M+H-H2O]+	174.066730	131.2
[M+HCOO]-	236.067671	160.7
[M+CH3COO]-	250.083321	181.3
[M+Na-2H]-	212.044136	144.3
[M]+	191.06892142	138.7
[M]-	191.07001858	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe