CID 49761279

Tert-butyl 4-(5-amino-1h-pyrazol-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NN2)N
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-6-4-9(5-7-17)10-8-11(14)16-15-10/h8-9H,4-7H2,1-3H3,(H3,14,15,16)
InChIKey
RPOLHXPGLRUGBT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

266.1743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 165.8
[M+Na]+ 289.16352 170.7
[M-H]- 265.16702 166.4
[M+NH4]+ 284.20812 178.8
[M+K]+ 305.13746 167.8
[M+H-H2O]+ 249.17156 157.4
[M+HCOO]- 311.17250 179.9
[M+CH3COO]- 325.18815 194.9
[M+Na-2H]- 287.14897 166.1
[M]+ 266.17375 160.6
[M]- 266.17485 160.6
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