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: 28
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]+	191.081506	137.9
[M+Na]+	213.063448	149.2
[M-H]-	189.066954	140.9
[M+NH4]+	208.108053	158.3
[M+K]+	229.037388	146.9
[M+H-H2O]+	173.071490	131.1
[M+HCOO]-	235.072431	161.3
[M+CH3COO]-	249.088081	182.5
[M+Na-2H]-	211.048896	144.6
[M]+	190.07368142	142.5
[M]-	190.07477858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe