CID 138577

Ethyl 1,5-dimethyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

CCOC(=O)C1=NN(C(=C1)C)C

InChI

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

InChIKey

OJPXVXXMBWKEAT-UHFFFAOYSA-N

Compound name

ethyl 1,5-dimethylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 168.08987 Da
Monoisotopic Mass: 1.2
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	136.1
[M+Na]+	191.07909	147.3
[M+NH4]+	186.12369	143.0
[M+K]+	207.05303	144.4
[M-H]-	167.08259	135.5
[M+Na-2H]-	189.06454	140.4
[M]+	168.08932	137.2
[M]-	168.09042	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe