CID 72208240

Methyl 4-amino-1h-indazole-3-carboxylate

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

COC(=O)C1=NNC2=CC=CC(=C21)N

InChI

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

InChIKey

PIHRBUYRORKISI-UHFFFAOYSA-N

Compound name

methyl 4-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]+	192.07675	138.0
[M+Na]+	214.05869	148.4
[M-H]-	190.06219	139.3
[M+NH4]+	209.10329	157.0
[M+K]+	230.03263	145.1
[M+H-H2O]+	174.06673	131.2
[M+HCOO]-	236.06767	160.7
[M+CH3COO]-	250.08332	181.3
[M+Na-2H]-	212.04414	144.3
[M]+	191.06892	138.7
[M]-	191.07002	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe