CID 63787659

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

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C2=CC=NN2
InChI
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-4-5-10(9-16)11-6-7-14-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,15)
InChIKey
RNKABFNMJPBYKN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.16338 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.170656 162.0
[M+Na]+ 274.152598 166.9
[M-H]- 250.156104 162.7
[M+NH4]+ 269.197203 176.0
[M+K]+ 290.126538 164.3
[M+H-H2O]+ 234.160640 153.6
[M+HCOO]- 296.161581 175.7
[M+CH3COO]- 310.177231 189.2
[M+Na-2H]- 272.138046 163.4
[M]+ 251.16283142 158.1
[M]- 251.16392858 158.1
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