CID 58408491

1225218-81-4

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=CC=NN2
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-7-5-9(8-15)10-4-6-13-14-10/h4,6,9H,5,7-8H2,1-3H3,(H,13,14)
InChIKey
WLWKRGQGMWUYIB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

237.14772 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 155.7
[M+Na]+ 260.13694 163.6
[M+NH4]+ 255.18154 161.3
[M+K]+ 276.11088 164.0
[M-H]- 236.14044 154.5
[M+Na-2H]- 258.12239 158.9
[M]+ 237.14717 156.0
[M]- 237.14827 156.0
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