CID 16220430

37622-89-2

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CCOC(=O)C1=CC(=NN1)C(=O)C

InChI

InChI=1S/C8H10N2O3/c1-3-13-8(12)7-4-6(5(2)11)9-10-7/h4H,3H2,1-2H3,(H,9,10)

InChIKey

DUGSTTIFTRKIBL-UHFFFAOYSA-N

Compound name

ethyl 3-acetyl-1H-pyrazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 182.06914 Da
Monoisotopic Mass: 0.8
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]+	183.07642	139.2
[M+Na]+	205.05836	148.6
[M+NH4]+	200.10296	144.6
[M+K]+	221.03230	147.1
[M-H]-	181.06186	137.0
[M+Na-2H]-	203.04381	142.1
[M]+	182.06859	139.4
[M]-	182.06969	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe