CID 50853230

950858-97-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC1=C(C=NN1C(C)(C)C)C(=O)OC

InChI

InChI=1S/C10H16N2O2/c1-7-8(9(13)14-5)6-11-12(7)10(2,3)4/h6H,1-5H3

InChIKey

BQOZXFDKIAJZTP-UHFFFAOYSA-N

Compound name

methyl 1-tert-butyl-5-methylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 196.12119 Da
Monoisotopic Mass: 1.4
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	144.6
[M+Na]+	219.11041	155.1
[M+NH4]+	214.15501	151.0
[M+K]+	235.08435	153.0
[M-H]-	195.11391	143.3
[M+Na-2H]-	217.09586	148.4
[M]+	196.12064	145.6
[M]-	196.12174	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe