CID 11805647

247583-69-3

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CCCC1=CC(=NN1C)C(=O)OCC

InChI

InChI=1S/C10H16N2O2/c1-4-6-8-7-9(11-12(8)3)10(13)14-5-2/h7H,4-6H2,1-3H3

InChIKey

RUCHDNJKZWSJHB-UHFFFAOYSA-N

Compound name

ethyl 1-methyl-5-propylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 196.12119 Da
Monoisotopic Mass: 2.0
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	152.7
[M-H]-	195.11391	145.1
[M+NH4]+	214.15501	162.9
[M+K]+	235.08435	151.5
[M+H-H2O]+	179.11845	136.9
[M+HCOO]-	241.11939	165.9
[M+CH3COO]-	255.13504	185.4
[M+Na-2H]-	217.09586	146.6
[M]+	196.12064	148.1
[M]-	196.12174	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe