CID 53403669

1396967-66-0

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=CC(=NN2)N
InChI
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-6-4-5-9(16)8-7-10(13)15-14-8/h7,9H,4-6H2,1-3H3,(H3,13,14,15)
InChIKey
KBOWWRPKCWLRQA-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

252.15863 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 161.0
[M+Na]+ 275.14785 167.0
[M-H]- 251.15135 162.5
[M+NH4]+ 270.19245 176.6
[M+K]+ 291.12179 164.8
[M+H-H2O]+ 235.15589 153.2
[M+HCOO]- 297.15683 177.8
[M+CH3COO]- 311.17248 191.7
[M+Na-2H]- 273.13330 160.5
[M]+ 252.15808 157.7
[M]- 252.15918 157.7
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