CID 55286900

2173135-18-5

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1CNCC1C2=CC=NN2

InChI

InChI=1S/C7H11N3/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2,(H,9,10)

InChIKey

NQUKCXGPCOPNRA-UHFFFAOYSA-N

Compound name

5-pyrrolidin-3-yl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 137.09529 Da
Monoisotopic Mass: 0.0
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]+	138.10257	129.1
[M+Na]+	160.08451	135.6
[M-H]-	136.08801	128.9
[M+NH4]+	155.12911	148.4
[M+K]+	176.05845	132.8
[M+H-H2O]+	120.09255	121.0
[M+HCOO]-	182.09349	147.5
[M+CH3COO]-	196.10914	141.0
[M+Na-2H]-	158.06996	132.4
[M]+	137.09474	122.3
[M]-	137.09584	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe