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]+ 253.165906 160.5
[M+Na]+ 275.147848 166.9
[M-H]- 251.151354 163.3
[M+NH4]+ 270.192453 176.7
[M+K]+ 291.121788 165.6
[M+H-H2O]+ 235.155890 152.4
[M+HCOO]- 297.156831 178.7
[M+CH3COO]- 311.172481 194.1
[M+Na-2H]- 273.133296 160.4
[M]+ 252.15808142 159.0
[M]- 252.15917858 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.