CID 68817960

278798-07-5

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=NN2
InChI
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-5-10(6-9-16)11-4-7-14-15-11/h4,7,10H,5-6,8-9H2,1-3H3,(H,14,15)
InChIKey
QZOZGYVJVHYVBZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1H-pyrazol-5-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

251.16338 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 162.0
[M+Na]+ 274.15260 166.9
[M-H]- 250.15610 162.7
[M+NH4]+ 269.19720 176.0
[M+K]+ 290.12654 164.3
[M+H-H2O]+ 234.16064 153.6
[M+HCOO]- 296.16158 175.7
[M+CH3COO]- 310.17723 189.2
[M+Na-2H]- 272.13805 163.4
[M]+ 251.16283 158.1
[M]- 251.16393 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