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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 136.2
[M+Na]+ 194.04554 144.6
[M-H]- 170.04904 137.2
[M+NH4]+ 189.09014 155.8
[M+K]+ 210.01948 140.7
[M+H-H2O]+ 154.05358 128.0
[M+HCOO]- 216.05452 151.1
[M+CH3COO]- 230.07017 148.4
[M+Na-2H]- 192.03099 138.4
[M]+ 171.05577 133.1
[M]- 171.05687 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.