CID 62329636

4-chloro-1-(pyrrolidin-3-yl)-1h-pyrazole

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

C1CNCC1N2C=C(C=N2)Cl

InChI

InChI=1S/C7H10ClN3/c8-6-3-10-11(5-6)7-1-2-9-4-7/h3,5,7,9H,1-2,4H2

InChIKey

HBUCZWOEPGBHOO-UHFFFAOYSA-N

Compound name

4-chloro-1-pyrrolidin-3-ylpyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.05632 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]+	172.063596	136.2
[M+Na]+	194.045538	144.6
[M-H]-	170.049044	137.2
[M+NH4]+	189.090143	155.8
[M+K]+	210.019478	140.7
[M+H-H2O]+	154.053580	128.0
[M+HCOO]-	216.054521	151.1
[M+CH3COO]-	230.070171	148.4
[M+Na-2H]-	192.030986	138.4
[M]+	171.05577142	133.1
[M]-	171.05686858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.