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

23
Patents

237.14772 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 157.7
[M+Na]+ 260.136938 163.8
[M-H]- 236.140444 159.2
[M+NH4]+ 255.181543 174.1
[M+K]+ 276.110878 161.9
[M+H-H2O]+ 220.144980 149.9
[M+HCOO]- 282.145921 174.0
[M+CH3COO]- 296.161571 186.1
[M+Na-2H]- 258.122386 158.0
[M]+ 237.14717142 155.7
[M]- 237.14826858 155.7
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