CID 22167575

Methyl 1-ethyl-3-methyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCN1C(=CC(=N1)C)C(=O)OC

InChI

InChI=1S/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3

InChIKey

QQCDTXYUOXYOTM-UHFFFAOYSA-N

Compound name

methyl 2-ethyl-5-methylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 168.08987 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]+	169.09715	134.5
[M+Na]+	191.07909	144.2
[M-H]-	167.08259	136.1
[M+NH4]+	186.12369	154.7
[M+K]+	207.05303	143.6
[M+H-H2O]+	151.08713	128.0
[M+HCOO]-	213.08807	157.2
[M+CH3COO]-	227.10372	179.4
[M+Na-2H]-	189.06454	138.3
[M]+	168.08932	138.1
[M]-	168.09042	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe