CID 55300232

3-[(2s)-pyrrolidin-2-yl]-1h-pyrazole dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
C1C[C@H](NC1)C2=CC=NN2
InChI
InChI=1S/C7H11N3/c1-2-6(8-4-1)7-3-5-9-10-7/h3,5-6,8H,1-2,4H2,(H,9,10)/t6-/m0/s1
InChIKey
MHSGZEFYVKSBLF-LURJTMIESA-N
Compound name
5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

137.09529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe