CID 86775182

Tert-butyl 3-(3-amino-1h-pyrazol-1-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2C=CC(=N2)N
InChI
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-6-4-9(8-15)16-7-5-10(13)14-16/h5,7,9H,4,6,8H2,1-3H3,(H2,13,14)
InChIKey
JJBRAKJDQVIEFK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-aminopyrazol-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 160.5
[M+Na]+ 275.14785 166.9
[M-H]- 251.15135 163.3
[M+NH4]+ 270.19245 176.7
[M+K]+ 291.12179 165.6
[M+H-H2O]+ 235.15589 152.4
[M+HCOO]- 297.15683 178.7
[M+CH3COO]- 311.17248 194.1
[M+Na-2H]- 273.13330 160.4
[M]+ 252.15808 159.0
[M]- 252.15918 159.0
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

No patent data available for this compound.