CID 23005696

50920-48-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

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

InChI

InChI=1S/C10H16N2O2/c1-5-14-10(13)9-6-8(4)12(11-9)7(2)3/h6-7H,5H2,1-4H3

InChIKey

XOJOQIUVANMZEP-UHFFFAOYSA-N

Compound name

ethyl 5-methyl-1-propan-2-ylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 196.12119 Da
Monoisotopic Mass: 1.9
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]+	197.12847	143.9
[M+Na]+	219.11041	152.5
[M-H]-	195.11391	145.3
[M+NH4]+	214.15501	162.9
[M+K]+	235.08435	151.7
[M+H-H2O]+	179.11845	137.0
[M+HCOO]-	241.11939	164.9
[M+CH3COO]-	255.13504	186.3
[M+Na-2H]-	217.09586	145.4
[M]+	196.12064	147.5
[M]-	196.12174	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe