CID 57438570

888739-04-6

Structural Information

Molecular Formula

C₉H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C9H14N2O3/c1-4-13-9(12)7-5-10-11-8(7)14-6(2)3/h5-6H,4H2,1-3H3,(H,10,11)

InChIKey

IMGDBIMVFOWKGU-UHFFFAOYSA-N

Compound name

ethyl 5-propan-2-yloxy-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.10045 Da
Monoisotopic Mass: 1.5
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]+	199.10773	144.2
[M+Na]+	221.08967	153.4
[M+NH4]+	216.13427	149.8
[M+K]+	237.06361	151.7
[M-H]-	197.09317	142.2
[M+Na-2H]-	219.07512	147.0
[M]+	198.09990	144.5
[M]-	198.10100	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe