CID 269244

29211-70-9

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCCC1=NNC(=O)C1

InChI

InChI=1S/C6H10N2O/c1-2-3-5-4-6(9)8-7-5/h2-4H2,1H3,(H,8,9)

InChIKey

GVUNLYBSNQOHBD-UHFFFAOYSA-N

Compound name

3-propyl-1,4-dihydropyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 126.079315 Da
Monoisotopic Mass: 0.4
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]+	127.08659	126.4
[M+Na]+	149.06853	136.9
[M+NH4]+	144.11314	133.8
[M+K]+	165.04247	133.4
[M-H]-	125.07204	125.8
[M+Na-2H]-	147.05398	130.7
[M]+	126.07877	127.4
[M]-	126.07986	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe