CID 37818676

Methyl 1-methyl-1h-indazole-5-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

CN1C2=C(C=C(C=C2)C(=O)OC)C=N1

InChI

InChI=1S/C10H10N2O2/c1-12-9-4-3-7(10(13)14-2)5-8(9)6-11-12/h3-6H,1-2H3

InChIKey

XTOQHQZMRMXLAT-UHFFFAOYSA-N

Compound name

methyl 1-methylindazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 190.07423 Da
Monoisotopic Mass: 1.4
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]+	191.08151	138.5
[M+Na]+	213.06345	152.2
[M+NH4]+	208.10805	146.4
[M+K]+	229.03739	148.1
[M-H]-	189.06695	139.2
[M+Na-2H]-	211.04890	144.7
[M]+	190.07368	140.5
[M]-	190.07478	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe