CID 67390442

3-(pyrrolidin-3-yl)-1h-pyrazol-5-ol hydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CNCC1C2=CC(=O)NN2

InChI

InChI=1S/C7H11N3O/c11-7-3-6(9-10-7)5-1-2-8-4-5/h3,5,8H,1-2,4H2,(H2,9,10,11)

InChIKey

NXIFLFFIQCQPGP-UHFFFAOYSA-N

Compound name

5-pyrrolidin-3-yl-1,2-dihydropyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 153.09021 Da
Monoisotopic Mass: -0.5
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]+	154.09749	132.7
[M+Na]+	176.07943	139.9
[M-H]-	152.08293	131.5
[M+NH4]+	171.12403	150.8
[M+K]+	192.05337	135.9
[M+H-H2O]+	136.08747	125.1
[M+HCOO]-	198.08841	150.0
[M+CH3COO]-	212.10406	144.1
[M+Na-2H]-	174.06488	134.8
[M]+	153.08966	125.1
[M]-	153.09076	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe