CID 137949382

Tert-butyl 5-(piperidin-2-yl)-1h-pyrazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC(C)(C)OC(=O)C1=C(NN=C1)C2CCCCN2
InChI
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)9-8-15-16-11(9)10-6-4-5-7-14-10/h8,10,14H,4-7H2,1-3H3,(H,15,16)
InChIKey
QPVKTRCANQKRSE-UHFFFAOYSA-N
Compound name
tert-butyl 5-piperidin-2-yl-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 162.3
[M+Na]+ 274.15260 166.6
[M-H]- 250.15610 161.6
[M+NH4]+ 269.19720 175.5
[M+K]+ 290.12654 163.2
[M+H-H2O]+ 234.16064 154.1
[M+HCOO]- 296.16158 174.5
[M+CH3COO]- 310.17723 187.4
[M+Na-2H]- 272.13805 163.2
[M]+ 251.16283 156.6
[M]- 251.16393 156.6
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

No patent data available for this compound.