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]+ 252.170656 162.3
[M+Na]+ 274.152598 166.6
[M-H]- 250.156104 161.6
[M+NH4]+ 269.197203 175.5
[M+K]+ 290.126538 163.2
[M+H-H2O]+ 234.160640 154.1
[M+HCOO]- 296.161581 174.5
[M+CH3COO]- 310.177231 187.4
[M+Na-2H]- 272.138046 163.2
[M]+ 251.16283142 156.6
[M]- 251.16392858 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.