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

85
Patents

266.1743 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.181576 165.8
[M+Na]+ 289.163518 170.7
[M-H]- 265.167024 166.4
[M+NH4]+ 284.208123 178.8
[M+K]+ 305.137458 167.8
[M+H-H2O]+ 249.171560 157.4
[M+HCOO]- 311.172501 179.9
[M+CH3COO]- 325.188151 194.9
[M+Na-2H]- 287.148966 166.1
[M]+ 266.17375142 160.6
[M]- 266.17484858 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