CID 45082193

105169-46-8

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CCCOC(=O)C1=NNCC1

InChI

InChI=1S/C7H12N2O2/c1-2-5-11-7(10)6-3-4-8-9-6/h8H,2-5H2,1H3

InChIKey

YWQUJLFJDKOKGC-UHFFFAOYSA-N

Compound name

propyl 4,5-dihydro-1H-pyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.08987 Da
Monoisotopic Mass: 1.0
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]+	157.09715	134.5
[M+Na]+	179.07909	143.6
[M+NH4]+	174.12369	141.0
[M+K]+	195.05303	140.9
[M-H]-	155.08259	133.0
[M+Na-2H]-	177.06454	137.9
[M]+	156.08932	134.9
[M]-	156.09042	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.